2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine

C15H22BrNO2S — CID 64752891

IUPAC2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO2S/c1-10-8-11(2)15(13(9-10)17-3)20(18,19)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyKYOZOYKCXJEWQP-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.25
Rot. Bonds3

About 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine

2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64752891) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64752891
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO2S/c1-10-8-11(2)15(13(9-10)17-3)20(18,19)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyKYOZOYKCXJEWQP-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752698
2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752881
2-(2-bromophenyl)sulfonyl-N-methylcyclooctan-1-amine
CID 64647628
2-(2-bromophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64645249
2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine
CID 64644849
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
CID 64674992
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
CID 64753066
2-bromobenzenesulfonate
CID 23001018
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
4-(2-bromophenyl)sulfonylpiperidine
CID 11023104

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine (CID 64752891) is 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is KYOZOYKCXJEWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-10-8-11(2)15(13(9-10)17-3)20(18,19)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 360.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64752891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).