N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide

C15H22BrNO2S — CID 106367713

IUPACN-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2CBr)c(C)c1
InChIInChI=1S/C15H22BrNO2S/c1-11-7-8-15(12(2)9-11)20(18,19)17-14-6-4-3-5-13(14)10-16/h7-9,13-14,17H,3-6,10H2,1-2H3
InChIKeyCGTPEEAKSQXSKN-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide

N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 106367713) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
PubChem CID106367713
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2CBr)c(C)c1
InChIInChI=1S/C15H22BrNO2S/c1-11-7-8-15(12(2)9-11)20(18,19)17-14-6-4-3-5-13(14)10-16/h7-9,13-14,17H,3-6,10H2,1-2H3
InChIKeyCGTPEEAKSQXSKN-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
N-[2-(bromomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106367741
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide (CID 106367713) is N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCC2CBr)c(C)c1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is CGTPEEAKSQXSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-11-7-8-15(12(2)9-11)20(18,19)17-14-6-4-3-5-13(14)10-16/h7-9,13-14,17H,3-6,10H2,1-2H3.
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 106367713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).