3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide

C13H18ClNO4S — CID 107090747

IUPAC3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C13H18ClNO4S/c1-19-13-4-2-3-12(13)15-20(17,18)10-6-5-9(8-16)11(14)7-10/h5-7,12-13,15-16H,2-4,8H2,1H3
InChIKeyDLZYAJOYPABMTK-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.68
Rot. Bonds5

About 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide

3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide (PubChem CID 107090747) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
PubChem CID107090747
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C13H18ClNO4S/c1-19-13-4-2-3-12(13)15-20(17,18)10-6-5-9(8-16)11(14)7-10/h5-7,12-13,15-16H,2-4,8H2,1H3
InChIKeyDLZYAJOYPABMTK-UHFFFAOYSA-N
XLogP1.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
CID 62088716
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130254599
N-(3-bromo-4-fluorophenyl)-2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]benzamide
CID 130254615
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
3-chloro-4-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001077
4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 106093469
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 62087824
N-(2-methoxycyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146356
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
CID 110125489

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide (CID 107090747) is 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide is COC1CCCC1NS(=O)(=O)c1ccc(CO)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide?
The InChIKey is DLZYAJOYPABMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-19-13-4-2-3-12(13)15-20(17,18)10-6-5-9(8-16)11(14)7-10/h5-7,12-13,15-16H,2-4,8H2,1H3.
What are the key properties of 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide?
3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide is sourced from PubChem (CID 107090747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).