3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide

C10H11ClN2O2S — CID 112684851

IUPAC3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H11ClN2O2S/c1-7(2)13-16(14,15)9-4-3-8(6-12)10(11)5-9/h3-5,7,13H,1-2H3
InChIKeyIRYYEWKRNYONBR-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.90
Rot. Bonds3

About 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide

3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide (PubChem CID 112684851) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
PubChem CID112684851
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H11ClN2O2S/c1-7(2)13-16(14,15)9-4-3-8(6-12)10(11)5-9/h3-5,7,13H,1-2H3
InChIKeyIRYYEWKRNYONBR-UHFFFAOYSA-N
XLogP1.90
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 115755311
methyl (2S)-2-[(3-chloro-4-cyanophenyl)sulfonylamino]propanoate
CID 87040378
3-chloro-4-cyano-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 112686588
N-(1-amino-4-methylpentan-2-yl)-3-chloro-4-cyanobenzenesulfonamide
CID 115752456
N-(1-amino-4-methylpentan-2-yl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 119983339
3-chloro-4-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 115590735
3-chloro-4-cyano-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103861189
3-chloro-4-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833830
3-chloro-4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115616293
3-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697592
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
3-chloro-4-cyano-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 115582135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide (CID 112684851) is 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide?
The InChIKey is IRYYEWKRNYONBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-7(2)13-16(14,15)9-4-3-8(6-12)10(11)5-9/h3-5,7,13H,1-2H3.
What are the key properties of 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide?
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide has a molecular weight of 258.73 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 112684851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).