3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

C15H24N2O3S — CID 61140381

IUPAC3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCO)C2CCCC2)cc1N
InChIInChI=1S/C15H24N2O3S/c1-2-12-7-8-14(11-15(12)16)21(19,20)17(9-10-18)13-5-3-4-6-13/h7-8,11,13,18H,2-6,9-10,16H2,1H3
InChIKeyFEPRXRLNZCOHFD-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.76
Rot. Bonds6

About 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61140381) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61140381
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCO)C2CCCC2)cc1N
InChIInChI=1S/C15H24N2O3S/c1-2-12-7-8-14(11-15(12)16)21(19,20)17(9-10-18)13-5-3-4-6-13/h7-8,11,13,18H,2-6,9-10,16H2,1H3
InChIKeyFEPRXRLNZCOHFD-UHFFFAOYSA-N
XLogP1.76
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61138671
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,5-dimethylbenzenesulfonamide
CID 43577817
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
2-chloro-4-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862562
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 102859099

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 61140381) is 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CCO)C2CCCC2)cc1N.
What is the InChIKey of 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is FEPRXRLNZCOHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-12-7-8-14(11-15(12)16)21(19,20)17(9-10-18)13-5-3-4-6-13/h7-8,11,13,18H,2-6,9-10,16H2,1H3.
What are the key properties of 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61140381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).