4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide

C12H13ClN2O2S — CID 8795320

IUPAC4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide
SMILESC[C@](C#N)(NS(=O)(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H13ClN2O2S/c1-12(8-14,9-2-3-9)15-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,15H,2-3H2,1H3/t12-/m1/s1
InChIKeyCAMUTNDFLBUEKW-GFCCVEGCSA-N
MW284.77 g/mol
LogP2.31
Rot. Bonds4

About 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide

4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide (PubChem CID 8795320) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide
PubChem CID8795320
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide
SMILESC[C@](C#N)(NS(=O)(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H13ClN2O2S/c1-12(8-14,9-2-3-9)15-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,15H,2-3H2,1H3/t12-/m1/s1
InChIKeyCAMUTNDFLBUEKW-GFCCVEGCSA-N
XLogP2.31
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-3,4-dimethoxybenzenesulfonamide
CID 8795871
3-acetyl-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide
CID 8795583
N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide
CID 114298498
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
2-(4-chloroanilino)-2-cyclohexylpropanenitrile
CID 54886371
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
4-chloro-N-[1-[4-(2-cyanoethyl)piperazine-1,4-diium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
CID 2261027
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43172952
4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 61128073
N-[1-bromo-2-(4-chlorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 11774034
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
CID 43015950
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide (CID 8795320) is 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide is C[C@](C#N)(NS(=O)(=O)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide?
The InChIKey is CAMUTNDFLBUEKW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-12(8-14,9-2-3-9)15-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,15H,2-3H2,1H3/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide?
4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide has a molecular weight of 284.77 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide is sourced from PubChem (CID 8795320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).