2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid

C15H14N2O6S — CID 23002403

IUPAC2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid
SMILESCOc1cc(C)nc(C(=O)NS(=O)(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O6S/c1-9-7-10(23-2)8-12(16-9)14(18)17-24(21,22)13-6-4-3-5-11(13)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUXRAQNMQJXKCTF-UHFFFAOYSA-N
MW350.35 g/mol
LogP1.22
Rot. Bonds5

About 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid

2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid (PubChem CID 23002403) has the molecular formula C15H14N2O6S and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid
PubChem CID23002403
Molecular FormulaC15H14N2O6S
Molecular Weight350.35 g/mol
Exact Mass350.06
IUPAC Name2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid
SMILESCOc1cc(C)nc(C(=O)NS(=O)(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O6S/c1-9-7-10(23-2)8-12(16-9)14(18)17-24(21,22)13-6-4-3-5-11(13)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUXRAQNMQJXKCTF-UHFFFAOYSA-N
XLogP1.22
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002380
2-[[4-(dimethoxymethyl)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 21274203
2-[(1-hydroxy-4-methoxy-6-methylpyrimidin-2-ylidene)carbamoylsulfamoyl]benzoic acid
CID 70552234
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
methyl 2-[(2,6-dimethylpyrimidin-4-yl)carbamoylsulfamoyl]benzoate
CID 13176760
2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 23177681
2-(fluorosulfamoyl)benzoic acid
CID 87516154
methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
CID 8615357
2-[[4-chloro-6-(2-methoxyethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 57322325
2-(ethylsulfamoyl)benzoic acid
CID 18725198
(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate
CID 19778891
2-(acetylcarbamoylcarbamoylcarbamoylsulfamoyl)benzoic acid
CID 101030339

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid (CID 23002403) is 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid is COc1cc(C)nc(C(=O)NS(=O)(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid?
The InChIKey is UXRAQNMQJXKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6S/c1-9-7-10(23-2)8-12(16-9)14(18)17-24(21,22)13-6-4-3-5-11(13)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid?
2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid has a molecular weight of 350.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 23002403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).