4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid

C13H16ClNO5S — CID 103091370

IUPAC4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
SMILESCOC1CCC(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1
InChIInChI=1S/C13H16ClNO5S/c1-20-10-4-3-9(7-10)15-21(18,19)12-6-8(13(16)17)2-5-11(12)14/h2,5-6,9-10,15H,3-4,7H2,1H3,(H,16,17)
InChIKeyUYNOCAOGWLMAFV-UHFFFAOYSA-N
MW333.79 g/mol
LogP1.88
Rot. Bonds5

About 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid

4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid (PubChem CID 103091370) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
PubChem CID103091370
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
SMILESCOC1CCC(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1
InChIInChI=1S/C13H16ClNO5S/c1-20-10-4-3-9(7-10)15-21(18,19)12-6-8(13(16)17)2-5-11(12)14/h2,5-6,9-10,15H,3-4,7H2,1H3,(H,16,17)
InChIKeyUYNOCAOGWLMAFV-UHFFFAOYSA-N
XLogP1.88
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
4-chloro-3-[(1-oxothian-4-yl)sulfamoyl]benzoic acid
CID 104655249
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103091364
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
4-chloro-3-[[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]sulfamoyl]benzoic acid
CID 91771830

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid (CID 103091370) is 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid is COC1CCC(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1.
What is the InChIKey of 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is UYNOCAOGWLMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c1-20-10-4-3-9(7-10)15-21(18,19)12-6-8(13(16)17)2-5-11(12)14/h2,5-6,9-10,15H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid?
4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 333.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 103091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).