AF36913
222409-98-5 | 3-(t-Butylsulfamoyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF36913
ChemicalName
3-(t-Butylsulfamoyl)benzoic acid
CasNumber
222409-98-5
MolecularFormula
C11H15NO4S
MolecularWeight
257.3061
MdlNumber
MFCD06335785
Smiles
OC(=O)c1cccc(c1)S(=O)(=O)NC(C)(C)C
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AF36913
ChemicalName: 3-(t-Butylsulfamoyl)benzoic acid
CasNumber: 222409-98-5
MolecularFormula: C11H15NO4S
MolecularWeight: 257.3061
MdlNumber: MFCD06335785
Smiles: OC(=O)c1cccc(c1)S(=O)(=O)NC(C)(C)C
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AF36913
ChemicalName:
3-(t-Butylsulfamoyl)benzoic acid
CasNumber:
222409-98-5
MolecularFormula:
C11H15NO4S
MolecularWeight:
257.3061
MdlNumber:
MFCD06335785
Smiles:
OC(=O)c1cccc(c1)S(=O)(=O)NC(C)(C)C
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: AF36914
ChemicalName: 5-Acetamido-2-chloropyridine
CasNumber: 29958-18-7
MolecularFormula: C7H7ClN2O
MolecularWeight: 170.5963
MdlNumber: MFCD20277888
Smiles: CC(=O)Nc1ccc(nc1)Cl
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AF36914
ChemicalName:
5-Acetamido-2-chloropyridine
CasNumber:
29958-18-7
MolecularFormula:
C7H7ClN2O
MolecularWeight:
170.5963
MdlNumber:
MFCD20277888
Smiles:
CC(=O)Nc1ccc(nc1)Cl
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C.O
Complexity: 272
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C.O
Complexity:
272
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF36916
ChemicalName: 4-Cyano-N,N-dimethylbenzamide
CasNumber: 24167-50-8
MolecularFormula: C10H10N2O
MolecularWeight: 174.1992
MdlNumber: MFCD07186293
Smiles: CN(C(=O)c1ccc(cc1)C#N)C
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AF36916
ChemicalName:
4-Cyano-N,N-dimethylbenzamide
CasNumber:
24167-50-8
MolecularFormula:
C10H10N2O
MolecularWeight:
174.1992
MdlNumber:
MFCD07186293
Smiles:
CN(C(=O)c1ccc(cc1)C#N)C
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.7