4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide

C12H15ClN2O2S — CID 115330193

IUPAC4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CC=CCC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2S/c13-11-8-10(6-7-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-2,6-9,15H,3-5,14H2
InChIKeyFRGCUOGTSNVXOT-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.31
Rot. Bonds3

About 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide

4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide (PubChem CID 115330193) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
PubChem CID115330193
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CC=CCC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2S/c13-11-8-10(6-7-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-2,6-9,15H,3-5,14H2
InChIKeyFRGCUOGTSNVXOT-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422243
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
CID 114108611
methyl 4-[[(1S)-cyclohex-3-en-1-yl]sulfamoyl]benzoate
CID 124505936
3-amino-N-cyclohex-3-en-1-yl-2,5,6-trimethylbenzenesulfonamide
CID 106505035
5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide
CID 102946028
4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 115330040
4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113474918
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide (CID 115330193) is 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CC=CCC2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide?
The InChIKey is FRGCUOGTSNVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c13-11-8-10(6-7-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-2,6-9,15H,3-5,14H2.
What are the key properties of 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide?
4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide has a molecular weight of 286.78 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide is sourced from PubChem (CID 115330193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).