6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid

C20H16ClN3O5S — CID 86729965

IUPAC6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C20H16ClN3O5S/c1-24(16-8-6-15(21)7-9-16)30(28,29)17-4-2-3-13(11-17)19(25)23-18-10-5-14(12-22-18)20(26)27/h2-12H,1H3,(H,26,27)(H,22,23,25)
InChIKeyANEFAFGITMCBAK-UHFFFAOYSA-N
MW445.88 g/mol
LogP3.51
Rot. Bonds6

About 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid

6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 86729965) has the molecular formula C20H16ClN3O5S and a molecular weight of 445.88 g/mol. Its IUPAC name is 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID86729965
Molecular FormulaC20H16ClN3O5S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC Name6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C20H16ClN3O5S/c1-24(16-8-6-15(21)7-9-16)30(28,29)17-4-2-3-13(11-17)19(25)23-18-10-5-14(12-22-18)20(26)27/h2-12H,1H3,(H,26,27)(H,22,23,25)
InChIKeyANEFAFGITMCBAK-UHFFFAOYSA-N
XLogP3.51
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide
CID 90342470
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide
CID 10416149
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870
N-[3-[(4-chlorophenyl)-methylsulfamoyl]phenyl]-4-isocyanobenzamide
CID 123618851
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid (CID 86729965) is 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ANEFAFGITMCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S/c1-24(16-8-6-15(21)7-9-16)30(28,29)17-4-2-3-13(11-17)19(25)23-18-10-5-14(12-22-18)20(26)27/h2-12H,1H3,(H,26,27)(H,22,23,25).
What are the key properties of 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 445.88 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 86729965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).