4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid

C13H18N2O5S — CID 106358785

IUPAC4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)NC2CCCC2CO)c1
InChIInChI=1S/C13H18N2O5S/c14-9-4-5-10(13(17)18)12(6-9)21(19,20)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2,(H,17,18)
InChIKeyOWRPDLOGFJDNAG-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.41
Rot. Bonds5

About 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid

4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid (PubChem CID 106358785) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
PubChem CID106358785
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)NC2CCCC2CO)c1
InChIInChI=1S/C13H18N2O5S/c14-9-4-5-10(13(17)18)12(6-9)21(19,20)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2,(H,17,18)
InChIKeyOWRPDLOGFJDNAG-UHFFFAOYSA-N
XLogP0.41
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 102931714
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787
3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358757
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid (CID 106358785) is 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid is Nc1ccc(C(=O)O)c(S(=O)(=O)NC2CCCC2CO)c1.
What is the InChIKey of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
The InChIKey is OWRPDLOGFJDNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c14-9-4-5-10(13(17)18)12(6-9)21(19,20)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2,(H,17,18).
What are the key properties of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 106358785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).