N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide

C14H20BrNO2S — CID 114297346

IUPACN-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2Br)cc1C
InChIInChI=1S/C14H20BrNO2S/c1-10-7-8-12(9-11(10)2)19(17,18)16-14-6-4-3-5-13(14)15/h7-9,13-14,16H,3-6H2,1-2H3
InChIKeyUPUPPLWLUOLMDJ-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.29
Rot. Bonds3

About N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide

N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 114297346) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
PubChem CID114297346
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2Br)cc1C
InChIInChI=1S/C14H20BrNO2S/c1-10-7-8-12(9-11(10)2)19(17,18)16-14-6-4-3-5-13(14)15/h7-9,13-14,16H,3-6H2,1-2H3
InChIKeyUPUPPLWLUOLMDJ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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

3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-(2-bromocyclopentyl)-4-methyl-3-nitrobenzenesulfonamide
CID 80662439
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
N-(2-bromocyclohexyl)-3-nitrobenzenesulfonamide
CID 106441042
N-(2-bromocyclohexyl)-4-nitrobenzenesulfonamide
CID 106441050
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
CID 80661956

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide (CID 114297346) is N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCC2Br)cc1C.
What is the InChIKey of N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is UPUPPLWLUOLMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10-7-8-12(9-11(10)2)19(17,18)16-14-6-4-3-5-13(14)15/h7-9,13-14,16H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide?
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 114297346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).