4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid

C14H14N2O4S — CID 107584612

IUPAC4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cncc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C14H14N2O4S/c1-9-5-12(8-15-7-9)16-21(19,20)13-6-11(14(17)18)4-3-10(13)2/h3-8,16H,1-2H3,(H,17,18)
InChIKeyHAUSBHXRQOQAEH-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.20
Rot. Bonds4

About 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid

4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 107584612) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
PubChem CID107584612
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cncc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C14H14N2O4S/c1-9-5-12(8-15-7-9)16-21(19,20)13-6-11(14(17)18)4-3-10(13)2/h3-8,16H,1-2H3,(H,17,18)
InChIKeyHAUSBHXRQOQAEH-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

5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584508
3-[[4-bromo-3-(trifluoromethyl)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 45291384
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
3-[[4-(diethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 8822368
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
CID 104856668
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757
3-[[4-(cyanomethyl)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 37263775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid (CID 107584612) is 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid is Cc1cncc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1.
What is the InChIKey of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is HAUSBHXRQOQAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-5-12(8-15-7-9)16-21(19,20)13-6-11(14(17)18)4-3-10(13)2/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic 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 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 107584612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).