6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid

C14H14N2O4S — CID 63873742

IUPAC6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H14N2O4S/c1-9-3-4-10(2)12(7-9)16-21(19,20)13-6-5-11(8-15-13)14(17)18/h3-8,16H,1-2H3,(H,17,18)
InChIKeyHBGAPCQFRSNGKW-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.20
Rot. Bonds4

About 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63873742) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63873742
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H14N2O4S/c1-9-3-4-10(2)12(7-9)16-21(19,20)13-6-5-11(8-15-13)14(17)18/h3-8,16H,1-2H3,(H,17,18)
InChIKeyHBGAPCQFRSNGKW-UHFFFAOYSA-N
XLogP2.20
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872589
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872022
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872962
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874134
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63873742) is 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid is Cc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is HBGAPCQFRSNGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-3-4-10(2)12(7-9)16-21(19,20)13-6-5-11(8-15-13)14(17)18/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63873742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).