3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C15H20F3NO4S — CID 24651409

IUPAC3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C15H20F3NO4S/c1-22-13-8-7-12(9-14(13)23-2)24(20,21)19-11-5-3-10(4-6-11)15(16,17)18/h7-11,19H,3-6H2,1-2H3
InChIKeyGDBMCZGQEJZLFR-UHFFFAOYSA-N
MW367.39 g/mol
LogP3.10
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 24651409) has the molecular formula C15H20F3NO4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID24651409
Molecular FormulaC15H20F3NO4S
Molecular Weight367.39 g/mol
Exact Mass367.11
IUPAC Name3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C15H20F3NO4S/c1-22-13-8-7-12(9-14(13)23-2)24(20,21)19-11-5-3-10(4-6-11)15(16,17)18/h7-11,19H,3-6H2,1-2H3
InChIKeyGDBMCZGQEJZLFR-UHFFFAOYSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 24651409) is 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is GDBMCZGQEJZLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4S/c1-22-13-8-7-12(9-14(13)23-2)24(20,21)19-11-5-3-10(4-6-11)15(16,17)18/h7-11,19H,3-6H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 24651409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).