5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide

C15H22BrNO3S — CID 2428075

IUPAC5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H22BrNO3S/c1-3-20-14-10-9-12(16)11-15(14)21(18,19)17(2)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3
InChIKeySUOZQCSLLAFDJS-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.80
Rot. Bonds5

About 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide

5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide (PubChem CID 2428075) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
PubChem CID2428075
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC Name5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H22BrNO3S/c1-3-20-14-10-9-12(16)11-15(14)21(18,19)17(2)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3
InChIKeySUOZQCSLLAFDJS-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606983
5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644419
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide (CID 2428075) is 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is SUOZQCSLLAFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c1-3-20-14-10-9-12(16)11-15(14)21(18,19)17(2)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide?
5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 2428075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).