N-(3-ethynylphenyl)cyclopentanesulfonamide

C13H15NO2S — CID 115606508

IUPACN-(3-ethynylphenyl)cyclopentanesulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C13H15NO2S/c1-2-11-6-5-7-12(10-11)14-17(15,16)13-8-3-4-9-13/h1,5-7,10,13-14H,3-4,8-9H2
InChIKeyXEWHHPWYZJNISD-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.35
Rot. Bonds3

About N-(3-ethynylphenyl)cyclopentanesulfonamide

N-(3-ethynylphenyl)cyclopentanesulfonamide (PubChem CID 115606508) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(3-ethynylphenyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)cyclopentanesulfonamide
PubChem CID115606508
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC NameN-(3-ethynylphenyl)cyclopentanesulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C13H15NO2S/c1-2-11-6-5-7-12(10-11)14-17(15,16)13-8-3-4-9-13/h1,5-7,10,13-14H,3-4,8-9H2
InChIKeyXEWHHPWYZJNISD-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-ethynylphenyl)cyclopentanesulfonamide 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

N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
3-bromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 16615708
3-(cyclopentylsulfonylamino)benzenecarbothioamide
CID 105361104
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
trans-(1S,2S)-2-(3-ethynylanilino)cyclohexan-1-ol
CID 102730833
3-(cyclohexylsulfonylamino)benzenecarbothioamide
CID 61066190
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255
2,5-dichloro-N-(3-ethynylphenyl)benzenesulfonamide
CID 30284577
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
1-ethynyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947305
N-(3-ethynylphenyl)azepane-2-carboxamide
CID 64564559

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)cyclopentanesulfonamide?
The IUPAC name of N-(3-ethynylphenyl)cyclopentanesulfonamide (CID 115606508) is N-(3-ethynylphenyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(3-ethynylphenyl)cyclopentanesulfonamide?
The canonical SMILES for N-(3-ethynylphenyl)cyclopentanesulfonamide is C#Cc1cccc(NS(=O)(=O)C2CCCC2)c1.
What is the InChIKey of N-(3-ethynylphenyl)cyclopentanesulfonamide?
The InChIKey is XEWHHPWYZJNISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-11-6-5-7-12(10-11)14-17(15,16)13-8-3-4-9-13/h1,5-7,10,13-14H,3-4,8-9H2.
What are the key properties of N-(3-ethynylphenyl)cyclopentanesulfonamide?
N-(3-ethynylphenyl)cyclopentanesulfonamide has a molecular weight of 249.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)cyclopentanesulfonamide is sourced from PubChem (CID 115606508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).