3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide

C15H12Cl2N2O2S — CID 7510137

IUPAC3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2S/c1-10(14-6-5-12(16)8-15(14)17)19-22(20,21)13-4-2-3-11(7-13)9-18/h2-8,10,19H,1H3/t10-/m1/s1
InChIKeyYJLXWQAOBFXYQC-SNVBAGLBSA-N
MW355.25 g/mol
LogP3.90
Rot. Bonds4

About 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide

3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide (PubChem CID 7510137) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide
PubChem CID7510137
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC Name3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2S/c1-10(14-6-5-12(16)8-15(14)17)19-22(20,21)13-4-2-3-11(7-13)9-18/h2-8,10,19H,1H3/t10-/m1/s1
InChIKeyYJLXWQAOBFXYQC-SNVBAGLBSA-N
XLogP3.90
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
N-but-3-en-2-yl-3-cyanobenzenesulfonamide
CID 103750108
3-cyano-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 47013218
3-cyano-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 4822223
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
3-cyano-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854782
3-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662747
3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8795010

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide (CID 7510137) is 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is YJLXWQAOBFXYQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c1-10(14-6-5-12(16)8-15(14)17)19-22(20,21)13-4-2-3-11(7-13)9-18/h2-8,10,19H,1H3/t10-/m1/s1.
What are the key properties of 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide?
3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 355.25 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7510137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).