5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide

C12H17Cl2NO2S2 — CID 106367818

IUPAC5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2CCl)sc1Cl
InChIInChI=1S/C12H17Cl2NO2S2/c1-8-6-11(18-12(8)14)19(16,17)15-10-5-3-2-4-9(10)7-13/h6,9-10,15H,2-5,7H2,1H3
InChIKeyLOAVRDNNILATRV-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide (PubChem CID 106367818) has the molecular formula C12H17Cl2NO2S2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide
PubChem CID106367818
Molecular FormulaC12H17Cl2NO2S2
Molecular Weight342.31 g/mol
Exact Mass341.01
IUPAC Name5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2CCl)sc1Cl
InChIInChI=1S/C12H17Cl2NO2S2/c1-8-6-11(18-12(8)14)19(16,17)15-10-5-3-2-4-9(10)7-13/h6,9-10,15H,2-5,7H2,1H3
InChIKeyLOAVRDNNILATRV-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide 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

5-chloro-N-cyclohexyl-4-methylthiophene-2-sulfonamide
CID 103099871
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138032308
5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 106359339
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
3-bromo-N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179808
N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide
CID 97108846
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
CID 97056164
N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120712728
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 84596171

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide (CID 106367818) is 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCCCC2CCl)sc1Cl.
What is the InChIKey of 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is LOAVRDNNILATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S2/c1-8-6-11(18-12(8)14)19(16,17)15-10-5-3-2-4-9(10)7-13/h6,9-10,15H,2-5,7H2,1H3.
What are the key properties of 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 342.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106367818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).