4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide

C13H17ClN2O2S — CID 4744883

IUPAC4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide
SMILESCC1CC=C(NNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2S/c1-10-2-6-12(7-3-10)15-16-19(17,18)13-8-4-11(14)5-9-13/h4-6,8-10,15-16H,2-3,7H2,1H3
InChIKeyBWAKBVZZFPIZFM-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.83
Rot. Bonds4

About 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide

4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide (PubChem CID 4744883) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide
PubChem CID4744883
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide
SMILESCC1CC=C(NNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2S/c1-10-2-6-12(7-3-10)15-16-19(17,18)13-8-4-11(14)5-9-13/h4-6,8-10,15-16H,2-3,7H2,1H3
InChIKeyBWAKBVZZFPIZFM-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide 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-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
CID 6376188
4-chloro-N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 11859488
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide
CID 695770
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113039262
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
sodium N-(4-chloroanilino)sulfamate
CID 102269786
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
CID 1333989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide?
The IUPAC name of 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide (CID 4744883) is 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide?
The canonical SMILES for 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide is CC1CC=C(NNS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide?
The InChIKey is BWAKBVZZFPIZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-10-2-6-12(7-3-10)15-16-19(17,18)13-8-4-11(14)5-9-13/h4-6,8-10,15-16H,2-3,7H2,1H3.
What are the key properties of 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide?
4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide has a molecular weight of 300.81 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(4-methylcyclohexen-1-yl)benzenesulfonohydrazide is sourced from PubChem (CID 4744883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).