3-[cyclopentyl(methyl)sulfamoyl]benzoic acid

C13H17NO4S — CID 43213252

IUPAC3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H17NO4S/c1-14(11-6-2-3-7-11)19(17,18)12-8-4-5-10(9-12)13(15)16/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyZGYOWPHYWMPTHI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.95
Rot. Bonds4

About 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid

3-[cyclopentyl(methyl)sulfamoyl]benzoic acid (PubChem CID 43213252) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
PubChem CID43213252
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H17NO4S/c1-14(11-6-2-3-7-11)19(17,18)12-8-4-5-10(9-12)13(15)16/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyZGYOWPHYWMPTHI-UHFFFAOYSA-N
XLogP1.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
(2S,3S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 25489125
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442993
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]-ethylamino]propanoic acid
CID 120685984
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
CID 120687513
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 127392421
N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 32769750
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid (CID 43213252) is 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid is CN(C1CCCC1)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is ZGYOWPHYWMPTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-14(11-6-2-3-7-11)19(17,18)12-8-4-5-10(9-12)13(15)16/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid?
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43213252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).