4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide

C15H22BrNO2S — CID 65481434

IUPAC4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C15H22BrNO2S/c1-15(2)9-7-13(8-10-15)17-20(18,19)14-5-3-12(11-16)4-6-14/h3-6,13,17H,7-11H2,1-2H3
InChIKeyFRPVBKNGMRDLAE-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.83
Rot. Bonds4

About 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide

4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 65481434) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID65481434
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C15H22BrNO2S/c1-15(2)9-7-13(8-10-15)17-20(18,19)14-5-3-12(11-16)4-6-14/h3-6,13,17H,7-11H2,1-2H3
InChIKeyFRPVBKNGMRDLAE-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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

4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65481827
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700216
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203522
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide (CID 65481434) is 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2ccc(CBr)cc2)CC1.
What is the InChIKey of 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is FRPVBKNGMRDLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-15(2)9-7-13(8-10-15)17-20(18,19)14-5-3-12(11-16)4-6-14/h3-6,13,17H,7-11H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 65481434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).