4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide

C14H21NO4S — CID 106002176

IUPAC4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2ccc(CCO)cc2)C1
InChIInChI=1S/C14H21NO4S/c1-19-13-5-4-12(10-13)15-20(17,18)14-6-2-11(3-7-14)8-9-16/h2-3,6-7,12-13,15-16H,4-5,8-10H2,1H3
InChIKeyVCAAPSKITADSDH-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.07
Rot. Bonds6

About 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide

4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide (PubChem CID 106002176) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
PubChem CID106002176
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2ccc(CCO)cc2)C1
InChIInChI=1S/C14H21NO4S/c1-19-13-5-4-12(10-13)15-20(17,18)14-6-2-11(3-7-14)8-9-16/h2-3,6-7,12-13,15-16H,4-5,8-10H2,1H3
InChIKeyVCAAPSKITADSDH-UHFFFAOYSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxyethyl)-N-(3-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-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 114118203
4-(cyanomethyl)-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600613
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
N-(2-ethylcyclopropyl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 114109831
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600641
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide (CID 106002176) is 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide is COC1CCC(NS(=O)(=O)c2ccc(CCO)cc2)C1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide?
The InChIKey is VCAAPSKITADSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-19-13-5-4-12(10-13)15-20(17,18)14-6-2-11(3-7-14)8-9-16/h2-3,6-7,12-13,15-16H,4-5,8-10H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide?
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106002176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).