2-[cycloheptyl(methyl)sulfamoyl]benzoic acid

C15H21NO4S — CID 43613846

IUPAC2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-16(12-8-4-2-3-5-9-12)21(19,20)14-11-7-6-10-13(14)15(17)18/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyGYOOIIOHIQUODQ-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.73
Rot. Bonds4

About 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid

2-[cycloheptyl(methyl)sulfamoyl]benzoic acid (PubChem CID 43613846) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
PubChem CID43613846
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-16(12-8-4-2-3-5-9-12)21(19,20)14-11-7-6-10-13(14)15(17)18/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyGYOOIIOHIQUODQ-UHFFFAOYSA-N
XLogP2.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 60950243
3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090724
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 112829072
2-carboxybenzenesulfonate;dicyclohexylazanium;dihydrate
CID 139054472
N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 60823066
5-bromo-3-[cyclopentyl(methyl)sulfamoyl]-2-fluorobenzoic acid
CID 43267075
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid (CID 43613846) is 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid is CN(C1CCCCCC1)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is GYOOIIOHIQUODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16(12-8-4-2-3-5-9-12)21(19,20)14-11-7-6-10-13(14)15(17)18/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid?
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43613846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).