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

C15H19BrF3NO4S — CID 43046634

IUPAC2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC2CCCCC2C(F)(F)F)cc1OC
InChIInChI=1S/C15H19BrF3NO4S/c1-23-12-7-10(16)14(8-13(12)24-2)25(21,22)20-11-6-4-3-5-9(11)15(17,18)19/h7-9,11,20H,3-6H2,1-2H3
InChIKeyNMIRSJRTLJELON-UHFFFAOYSA-N
MW446.29 g/mol
LogP3.87
Rot. Bonds5

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

2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 43046634) has the molecular formula C15H19BrF3NO4S and a molecular weight of 446.29 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID43046634
Molecular FormulaC15H19BrF3NO4S
Molecular Weight446.29 g/mol
Exact Mass445.02
IUPAC Name2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC2CCCCC2C(F)(F)F)cc1OC
InChIInChI=1S/C15H19BrF3NO4S/c1-23-12-7-10(16)14(8-13(12)24-2)25(21,22)20-11-6-4-3-5-9(11)15(17,18)19/h7-9,11,20H,3-6H2,1-2H3
InChIKeyNMIRSJRTLJELON-UHFFFAOYSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 3582410
N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 1184065
2-bromo-4,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 9186307
2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide
CID 71883999
2-bromo-N-[(4-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide
CID 9186924
N-allyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 60664998
2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide
CID 71657918
2-bromo-4,5-dimethoxy-N-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]benzenesulfonamide
CID 139092614
2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide
CID 9187534
3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651409
2-bromo-4,5-dimethoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 29841156
2-bromo-4,5-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 30599620

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 43046634) is 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is COc1cc(Br)c(S(=O)(=O)NC2CCCCC2C(F)(F)F)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is NMIRSJRTLJELON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO4S/c1-23-12-7-10(16)14(8-13(12)24-2)25(21,22)20-11-6-4-3-5-9(11)15(17,18)19/h7-9,11,20H,3-6H2,1-2H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 446.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 43046634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).