2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid

C13H11ClN2O4S — CID 63653933

IUPAC2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H11ClN2O4S/c1-8-7-9(14)4-5-11(8)21(19,20)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyLIICIBJPSGEHDO-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.54
Rot. Bonds4

About 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63653933) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63653933
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H11ClN2O4S/c1-8-7-9(14)4-5-11(8)21(19,20)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyLIICIBJPSGEHDO-UHFFFAOYSA-N
XLogP2.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 4739578
3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115777996
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654103
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 63653933) is 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is Cc1cc(Cl)ccc1S(=O)(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is LIICIBJPSGEHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-8-7-9(14)4-5-11(8)21(19,20)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 326.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63653933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).