4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid

C13H16ClNO5S — CID 62518209

IUPAC4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C13H16ClNO5S/c14-10-4-3-9(12(17)18)7-11(10)21(19,20)15-13(8-16)5-1-2-6-13/h3-4,7,15-16H,1-2,5-6,8H2,(H,17,18)
InChIKeyWMOTWMAUPHWZPM-UHFFFAOYSA-N
MW333.79 g/mol
LogP1.62
Rot. Bonds5

About 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid

4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid (PubChem CID 62518209) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
PubChem CID62518209
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C13H16ClNO5S/c14-10-4-3-9(12(17)18)7-11(10)21(19,20)15-13(8-16)5-1-2-6-13/h3-4,7,15-16H,1-2,5-6,8H2,(H,17,18)
InChIKeyWMOTWMAUPHWZPM-UHFFFAOYSA-N
XLogP1.62
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid (CID 62518209) is 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
The InChIKey is WMOTWMAUPHWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c14-10-4-3-9(12(17)18)7-11(10)21(19,20)15-13(8-16)5-1-2-6-13/h3-4,7,15-16H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid?
4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid has a molecular weight of 333.79 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 62518209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).