4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide

C16H21NO3S — CID 114550763

IUPAC4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(C#CCCO)cc2)C1
InChIInChI=1S/C16H21NO3S/c1-13-5-8-15(12-13)17-21(19,20)16-9-6-14(7-10-16)4-2-3-11-18/h6-7,9-10,13,15,17-18H,3,5,8,11-12H2,1H3
InChIKeyDHKROUNBJVKXDU-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.89
Rot. Bonds4

About 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide

4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114550763) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114550763
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(C#CCCO)cc2)C1
InChIInChI=1S/C16H21NO3S/c1-13-5-8-15(12-13)17-21(19,20)16-9-6-14(7-10-16)4-2-3-11-18/h6-7,9-10,13,15,17-18H,3,5,8,11-12H2,1H3
InChIKeyDHKROUNBJVKXDU-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)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

4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114550771
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 54926200
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
CID 114811799
4-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]but-3-yn-1-ol
CID 60823033
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114550763) is 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(C#CCCO)cc2)C1.
What is the InChIKey of 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is DHKROUNBJVKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-13-5-8-15(12-13)17-21(19,20)16-9-6-14(7-10-16)4-2-3-11-18/h6-7,9-10,13,15,17-18H,3,5,8,11-12H2,1H3.
What are the key properties of 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114550763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).