N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide

C14H17NO3S — CID 54926250

IUPACN-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C#CCO)c1)C1CC1
InChIInChI=1S/C14H17NO3S/c1-11(13-7-8-13)15-19(17,18)14-6-2-4-12(10-14)5-3-9-16/h2,4,6,10-11,13,15-16H,7-9H2,1H3
InChIKeyNJYYGGGIVYHWKS-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.11
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide

N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide (PubChem CID 54926250) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
PubChem CID54926250
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C#CCO)c1)C1CC1
InChIInChI=1S/C14H17NO3S/c1-11(13-7-8-13)15-19(17,18)14-6-2-4-12(10-14)5-3-9-16/h2,4,6,10-11,13,15-16H,7-9H2,1H3
InChIKeyNJYYGGGIVYHWKS-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)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-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466225
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 60824918
N-(2,3-dimethylbutyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 64598282
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735852
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926862
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823010
3-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83015854
3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60824271
3-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 61422153
3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824132
2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61466477

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide (CID 54926250) is N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(C#CCO)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The InChIKey is NJYYGGGIVYHWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11(13-7-8-13)15-19(17,18)14-6-2-4-12(10-14)5-3-9-16/h2,4,6,10-11,13,15-16H,7-9H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 54926250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).