N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide

C14H18BrCl2NO2S — CID 114294026

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide
SMILESCC1CCC(CBr)(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18BrCl2NO2S/c1-10-4-6-14(9-15,7-5-10)18-21(19,20)13-8-11(16)2-3-12(13)17/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyJLZYHULYEQQLFR-UHFFFAOYSA-N
MW415.18 g/mol
LogP4.62
Rot. Bonds4

About N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide

N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 114294026) has the molecular formula C14H18BrCl2NO2S and a molecular weight of 415.18 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide
PubChem CID114294026
Molecular FormulaC14H18BrCl2NO2S
Molecular Weight415.18 g/mol
Exact Mass412.96
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide
SMILESCC1CCC(CBr)(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18BrCl2NO2S/c1-10-4-6-14(9-15,7-5-10)18-21(19,20)13-8-11(16)2-3-12(13)17/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyJLZYHULYEQQLFR-UHFFFAOYSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.18
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide 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

2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluorobenzenesulfonamide
CID 105400647
N-[1-(bromomethyl)cyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400686
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400688
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400689
2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
CID 2807128
2,5-Dichloro-N-(1,1-dimethyl-2-phenylethyl)benzenesulfonamide
CID 622382
2,5-dichloro-N-[(2S)-5-methylhexan-2-yl]benzenesulfonamide
CID 70268375
2,5-dichloro-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 167068213
2,5-dichloro-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2169156
2,5-dichloro-N-[(2S)-6-methylheptan-2-yl]benzenesulfonamide
CID 2169157
2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 2400652
[(2,5-Dichlorophenyl)sulfonyl](1,5-dimethylhexyl)amine
CID 2915619

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide (CID 114294026) is N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide is CC1CCC(CBr)(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is JLZYHULYEQQLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO2S/c1-10-4-6-14(9-15,7-5-10)18-21(19,20)13-8-11(16)2-3-12(13)17/h2-3,8,10,18H,4-7,9H2,1H3.
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 415.18 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 114294026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).