5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C15H19BrF3NO3S — CID 24651368

IUPAC5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19BrF3NO3S/c1-2-23-13-8-5-11(16)9-14(13)24(21,22)20-12-6-3-10(4-7-12)15(17,18)19/h5,8-10,12,20H,2-4,6-7H2,1H3
InChIKeyQWZJSNCCZNJZEU-UHFFFAOYSA-N
MW430.29 g/mol
LogP4.25
Rot. Bonds5

About 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 24651368) has the molecular formula C15H19BrF3NO3S and a molecular weight of 430.29 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID24651368
Molecular FormulaC15H19BrF3NO3S
Molecular Weight430.29 g/mol
Exact Mass429.02
IUPAC Name5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19BrF3NO3S/c1-2-23-13-8-5-11(16)9-14(13)24(21,22)20-12-6-3-10(4-7-12)15(17,18)19/h5,8-10,12,20H,2-4,6-7H2,1H3
InChIKeyQWZJSNCCZNJZEU-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 146411611
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005629
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 24651368) is 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is QWZJSNCCZNJZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO3S/c1-2-23-13-8-5-11(16)9-14(13)24(21,22)20-12-6-3-10(4-7-12)15(17,18)19/h5,8-10,12,20H,2-4,6-7H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 430.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 24651368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).