4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid

C15H21NO4S — CID 43317213

IUPAC4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C15H21NO4S/c1-10-4-3-5-13(8-10)16-21(19,20)14-9-12(15(17)18)7-6-11(14)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyFTDKBDUOLHWMIG-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.55
Rot. Bonds4

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

4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid (PubChem CID 43317213) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
PubChem CID43317213
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C15H21NO4S/c1-10-4-3-5-13(8-10)16-21(19,20)14-9-12(15(17)18)7-6-11(14)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyFTDKBDUOLHWMIG-UHFFFAOYSA-N
XLogP2.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
4-methyl-3-(thian-3-ylsulfamoyl)benzoic acid
CID 104655157
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645
2-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 63742810
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543620
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid (CID 43317213) is 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid is Cc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC(C)C1.
What is the InChIKey of 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid?
The InChIKey is FTDKBDUOLHWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-10-4-3-5-13(8-10)16-21(19,20)14-9-12(15(17)18)7-6-11(14)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid?
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43317213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).