4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid

C14H19NO4S — CID 63277680

IUPAC4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C14H19NO4S/c1-9-4-3-5-12(9)15-20(18,19)13-8-11(14(16)17)7-6-10(13)2/h6-9,12,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyYFMCNYFAKXRAAI-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.16
Rot. Bonds4

About 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid

4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 63277680) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID63277680
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C14H19NO4S/c1-9-4-3-5-12(9)15-20(18,19)13-8-11(14(16)17)7-6-10(13)2/h6-9,12,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyYFMCNYFAKXRAAI-UHFFFAOYSA-N
XLogP2.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281568
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43317213
4-methyl-3-(thian-3-ylsulfamoyl)benzoic acid
CID 104655157
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-nitrobenzenesulfonamide
CID 7798978
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 7032351
5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279395
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid (CID 63277680) is 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid is Cc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1C.
What is the InChIKey of 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is YFMCNYFAKXRAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-4-3-5-12(9)15-20(18,19)13-8-11(14(16)17)7-6-10(13)2/h6-9,12,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63277680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).