2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid

C15H15N3O5S — CID 4738961

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O5S/c1-10(19)17-11-5-7-12(8-6-11)24(22,23)18(2)14-13(15(20)21)4-3-9-16-14/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeySRFXRVRFPFNMQI-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.56
Rot. Bonds5

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid

2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 4738961) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid
PubChem CID4738961
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O5S/c1-10(19)17-11-5-7-12(8-6-11)24(22,23)18(2)14-13(15(20)21)4-3-9-16-14/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeySRFXRVRFPFNMQI-UHFFFAOYSA-N
XLogP1.56
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
CID 4738975
2-[methyl-(2-nitrophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738958
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 55389617
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
N-[4-(diphenylsulfamoyl)phenyl]acetamide
CID 4296300
4-acetamidobenzenesulfonic acid chloride
CID 53446633
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43886795
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
N-[4-[phenyl(1-pyridin-2-ylethyl)sulfamoyl]phenyl]acetamide
CID 3712981
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene
CID 154880193

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid (CID 4738961) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is SRFXRVRFPFNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-10(19)17-11-5-7-12(8-6-11)24(22,23)18(2)14-13(15(20)21)4-3-9-16-14/h3-9H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid?
2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid has a molecular weight of 349.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 4738961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).