4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

C14H19ClN2O2S — CID 107855942

IUPAC4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h4,6-7,10,17H,1-3,5,8-9,16H2
InChIKeyGHYCOWKICWTCJC-UHFFFAOYSA-N
MW314.84 g/mol
LogP3.09
Rot. Bonds5

About 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (PubChem CID 107855942) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
PubChem CID107855942
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h4,6-7,10,17H,1-3,5,8-9,16H2
InChIKeyGHYCOWKICWTCJC-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 53.09
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'}

Analyze 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]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

4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
CID 106174188
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
N-[2-(cyclohexen-1-yl)ethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 126457199
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
CID 103844649
4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 61113473

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (CID 107855942) is 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The InChIKey is GHYCOWKICWTCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h4,6-7,10,17H,1-3,5,8-9,16H2.
What are the key properties of 4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 3.09, 5 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-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 107855942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).