6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid

C19H15ClN2O4S — CID 70829040

IUPAC6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C19H15ClN2O4S/c20-16-9-6-14(7-10-16)13-22(18-11-8-15(12-21-18)19(23)24)27(25,26)17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)
InChIKeyKIQOGMVGQHBAOA-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.83
Rot. Bonds6

About 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid

6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 70829040) has the molecular formula C19H15ClN2O4S and a molecular weight of 402.86 g/mol. Its IUPAC name is 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID70829040
Molecular FormulaC19H15ClN2O4S
Molecular Weight402.86 g/mol
Exact Mass402.04
IUPAC Name6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C19H15ClN2O4S/c20-16-9-6-14(7-10-16)13-22(18-11-8-15(12-21-18)19(23)24)27(25,26)17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)
InChIKeyKIQOGMVGQHBAOA-UHFFFAOYSA-N
XLogP3.83
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 70828971
4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-chlorophenoxy]methyl]benzoic acid
CID 15922875
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
4-[benzyl-(3-chloro-5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 118719633
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 141280137
methyl 4-[benzyl-(3,5-dichloro-2-pyridinyl)sulfamoyl]benzoate
CID 66601084
4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide
CID 102095863
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]-4-chlorobenzamide
CID 66714993
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 30380361
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 43909813

Frequently Asked Questions

What is the IUPAC name of 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid (CID 70829040) is 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is KIQOGMVGQHBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4S/c20-16-9-6-14(7-10-16)13-22(18-11-8-15(12-21-18)19(23)24)27(25,26)17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24).
What are the key properties of 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid?
6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 402.86 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 70829040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).