3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide

C15H22BrNO2S — CID 63422973

IUPAC3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO2S/c1-2-12-6-8-13(9-7-12)11-17-20(18,19)15-5-3-4-14(16)10-15/h3-5,10,12-13,17H,2,6-9,11H2,1H3
InChIKeyIXVUZSJUDOJFTI-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.94
Rot. Bonds5

About 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide

3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 63422973) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
PubChem CID63422973
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO2S/c1-2-12-6-8-13(9-7-12)11-17-20(18,19)15-5-3-4-14(16)10-15/h3-5,10,12-13,17H,2,6-9,11H2,1H3
InChIKeyIXVUZSJUDOJFTI-UHFFFAOYSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[(4-ethylcyclohexyl)methyl]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

3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]benzenesulfonamide
CID 114295394
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
3-bromo-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406414
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide (CID 63422973) is 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide is CCC1CCC(CNS(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is IXVUZSJUDOJFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-2-12-6-8-13(9-7-12)11-17-20(18,19)15-5-3-4-14(16)10-15/h3-5,10,12-13,17H,2,6-9,11H2,1H3.
What are the key properties of 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide?
3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63422973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).