2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid

C21H24N2O5S — CID 1356115

IUPAC2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C21H24N2O5S/c1-14-11-12-15(20(24)22-18-10-6-5-9-17(18)21(25)26)13-19(14)29(27,28)23-16-7-3-2-4-8-16/h5-6,9-13,16,23H,2-4,7-8H2,1H3,(H,22,24)(H,25,26)
InChIKeyGVOFXANWDLTOQJ-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.56
Rot. Bonds6

About 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid

2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid (PubChem CID 1356115) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
PubChem CID1356115
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C21H24N2O5S/c1-14-11-12-15(20(24)22-18-10-6-5-9-17(18)21(25)26)13-19(14)29(27,28)23-16-7-3-2-4-8-16/h5-6,9-13,16,23H,2-4,7-8H2,1H3,(H,22,24)(H,25,26)
InChIKeyGVOFXANWDLTOQJ-UHFFFAOYSA-N
XLogP3.56
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696
N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126413886
2-[[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid
CID 23795276
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
N-(2-chlorophenyl)-3-(cycloheptylsulfamoyl)-4-fluorobenzamide
CID 5008740
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid (CID 1356115) is 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid is Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
The InChIKey is GVOFXANWDLTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-14-11-12-15(20(24)22-18-10-6-5-9-17(18)21(25)26)13-19(14)29(27,28)23-16-7-3-2-4-8-16/h5-6,9-13,16,23H,2-4,7-8H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid?
2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid has a molecular weight of 416.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 1356115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).