N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide

C15H22BrNO2S — CID 102638654

IUPACN-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)C2CCCCC2Br)c1
InChIInChI=1S/C15H22BrNO2S/c1-11-8-9-12(2)15(10-11)20(18,19)17(3)14-7-5-4-6-13(14)16/h8-10,13-14H,4-7H2,1-3H3
InChIKeyAITUVOYAWOPOQF-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.63
Rot. Bonds3

About N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide

N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide (PubChem CID 102638654) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
PubChem CID102638654
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)C2CCCCC2Br)c1
InChIInChI=1S/C15H22BrNO2S/c1-11-8-9-12(2)15(10-11)20(18,19)17(3)14-7-5-4-6-13(14)16/h8-10,13-14H,4-7H2,1-3H3
InChIKeyAITUVOYAWOPOQF-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79120226
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 102639278
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
CID 61231449
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
2-bromo-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 102638612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide (CID 102638654) is N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)C2CCCCC2Br)c1.
What is the InChIKey of N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is AITUVOYAWOPOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-11-8-9-12(2)15(10-11)20(18,19)17(3)14-7-5-4-6-13(14)16/h8-10,13-14H,4-7H2,1-3H3.
What are the key properties of N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide?
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 102638654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).