5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide

C13H15ClN2O3S — CID 102675845

IUPAC5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H15ClN2O3S/c14-11-5-4-10(9-15)13(8-11)20(18,19)16(6-7-17)12-2-1-3-12/h4-5,8,12,17H,1-3,6-7H2
InChIKeyRERZUWKWRHCXCX-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.75
Rot. Bonds5

About 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide

5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 102675845) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID102675845
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H15ClN2O3S/c14-11-5-4-10(9-15)13(8-11)20(18,19)16(6-7-17)12-2-1-3-12/h4-5,8,12,17H,1-3,6-7H2
InChIKeyRERZUWKWRHCXCX-UHFFFAOYSA-N
XLogP1.75
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)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

2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675855
5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107483521
5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 107483556
5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483714
5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483734
2-chloro-6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 128977135
5-chloro-2-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 40061169
4-Chloro-2-morpholin-4-ylsulfonylbenzonitrile
CID 47171047
4-Chloro-2-pyrrolidin-1-ylsulfonylbenzonitrile
CID 40061060
4-Chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 43427820
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 102675845) is 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is RERZUWKWRHCXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c14-11-5-4-10(9-15)13(8-11)20(18,19)16(6-7-17)12-2-1-3-12/h4-5,8,12,17H,1-3,6-7H2.
What are the key properties of 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 102675845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).