4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

C14H20BrNO2S — CID 64741660

IUPAC4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1C
InChIInChI=1S/C14H20BrNO2S/c1-10-3-6-13(9-11(10)2)16-19(17,18)14-7-4-12(15)5-8-14/h4-5,7-8,10-11,13,16H,3,6,9H2,1-2H3
InChIKeyKORMAQSQXIHZTI-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.55
Rot. Bonds3

About 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 64741660) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID64741660
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1C
InChIInChI=1S/C14H20BrNO2S/c1-10-3-6-13(9-11(10)2)16-19(17,18)14-7-4-12(15)5-8-14/h4-5,7-8,10-11,13,16H,3,6,9H2,1-2H3
InChIKeyKORMAQSQXIHZTI-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(3,4-dimethylcyclohexyl)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-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 65206704
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
CID 7028487
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 64741708
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357727

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (CID 64741660) is 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1C.
What is the InChIKey of 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is KORMAQSQXIHZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10-3-6-13(9-11(10)2)16-19(17,18)14-7-4-12(15)5-8-14/h4-5,7-8,10-11,13,16H,3,6,9H2,1-2H3.
What are the key properties of 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 64741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).