AC53723
7311-93-5 | 3-(Piperidine-1-sulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC53723
ChemicalName
3-(Piperidine-1-sulfonyl)benzoic acid
CasNumber
7311-93-5
MolecularFormula
C12H15NO4S
MolecularWeight
269.3168
MdlNumber
MFCD00760901
Smiles
OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
Complexity
395
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AC53723
ChemicalName: 3-(Piperidine-1-sulfonyl)benzoic acid
CasNumber: 7311-93-5
MolecularFormula: C12H15NO4S
MolecularWeight: 269.3168
MdlNumber: MFCD00760901
Smiles: OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AC53723
ChemicalName:
3-(Piperidine-1-sulfonyl)benzoic acid
CasNumber:
7311-93-5
MolecularFormula:
C12H15NO4S
MolecularWeight:
269.3168
MdlNumber:
MFCD00760901
Smiles:
OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AC53729
ChemicalName: 5-Fluoro-1(3H)-isobenzofuranone
CasNumber: 700-85-6
MolecularFormula: C8H5FO2
MolecularWeight: 152.12250319999998
MdlNumber: MFCD09842448
Smiles: Fc1ccc2c(c1)COC2=O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AC53729
ChemicalName:
5-Fluoro-1(3H)-isobenzofuranone
CasNumber:
700-85-6
MolecularFormula:
C8H5FO2
MolecularWeight:
152.12250319999998
MdlNumber:
MFCD09842448
Smiles:
Fc1ccc2c(c1)COC2=O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCc1[nH]n(c(=O)c1)c1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCc1[nH]n(c(=O)c1)c1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cnc2c(c1Cl)cc(s2)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cnc2c(c1Cl)cc(s2)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__