4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide

C15H22BrNO2S — CID 7028487

IUPAC4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
SMILESC[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1
InChIInChI=1S/C15H22BrNO2S/c1-11-8-13(10-15(2,3)9-11)17-20(18,19)14-6-4-12(16)5-7-14/h4-7,11,13,17H,8-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyKSNCEBUZVXCWHN-AAEUAGOBSA-N
MW360.32 g/mol
LogP3.94
Rot. Bonds3

About 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide

4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide (PubChem CID 7028487) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
PubChem CID7028487
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
SMILESC[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1
InChIInChI=1S/C15H22BrNO2S/c1-11-8-13(10-15(2,3)9-11)17-20(18,19)14-6-4-12(16)5-7-14/h4-7,11,13,17H,8-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyKSNCEBUZVXCWHN-AAEUAGOBSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide (CID 7028487) is 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide is C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2)CC(C)(C)C1.
What is the InChIKey of 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide?
The InChIKey is KSNCEBUZVXCWHN-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-11-8-13(10-15(2,3)9-11)17-20(18,19)14-6-4-12(16)5-7-14/h4-7,11,13,17H,8-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide?
4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 7028487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).