AI40543
1820665-16-4 | N-Ethyl-N-(3-nitrophenyl)methanesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AI40543
ChemicalName
N-Ethyl-N-(3-nitrophenyl)methanesulfonamide
CasNumber
1820665-16-4
MolecularFormula
C9H12N2O4S
MolecularWeight
244.2676
MdlNumber
MFCD28122685
Smiles
CCN(S(=O)(=O)C)c1cccc(c1)[N+](=O)[O-]
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AI40543
ChemicalName: N-Ethyl-N-(3-nitrophenyl)methanesulfonamide
CasNumber: 1820665-16-4
MolecularFormula: C9H12N2O4S
MolecularWeight: 244.2676
MdlNumber: MFCD28122685
Smiles: CCN(S(=O)(=O)C)c1cccc(c1)[N+](=O)[O-]
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AI40543
ChemicalName:
N-Ethyl-N-(3-nitrophenyl)methanesulfonamide
CasNumber:
1820665-16-4
MolecularFormula:
C9H12N2O4S
MolecularWeight:
244.2676
MdlNumber:
MFCD28122685
Smiles:
CCN(S(=O)(=O)C)c1cccc(c1)[N+](=O)[O-]
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AI40546
ChemicalName: 7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber: 1820665-33-5
MolecularFormula: C9H6BrF3N2O
MolecularWeight: 295.0559
MdlNumber: MFCD28369613
Smiles: FC(c1cc(Br)c2c(c1)[nH]c(=O)n2C)(F)F
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AI40546
ChemicalName:
7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber:
1820665-33-5
MolecularFormula:
C9H6BrF3N2O
MolecularWeight:
295.0559
MdlNumber:
MFCD28369613
Smiles:
FC(c1cc(Br)c2c(c1)[nH]c(=O)n2C)(F)F
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)OC(C)(C)C
Complexity: 421
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)OC(C)(C)C
Complexity:
421
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COc1cccc(n1)C)C
Complexity: 125
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COc1cccc(n1)C)C
Complexity:
125
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9