2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C15H14F3NO3S — CID 175046961

IUPAC2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(Cc2c(C(F)(F)F)cccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H14F3NO3S/c1-22-11-7-5-10(6-8-11)9-12-13(15(16,17)18)3-2-4-14(12)23(19,20)21/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyLIKDHLYZKIWPGE-UHFFFAOYSA-N
MW345.34 g/mol
LogP2.95
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 175046961) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID175046961
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(Cc2c(C(F)(F)F)cccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H14F3NO3S/c1-22-11-7-5-10(6-8-11)9-12-13(15(16,17)18)3-2-4-14(12)23(19,20)21/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyLIKDHLYZKIWPGE-UHFFFAOYSA-N
XLogP2.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67327886
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
2-[(4-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749223
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole
CID 68882173
sulfanium;bis(2-(trifluoromethyl)benzenesulfonate);tris(4-methoxyphenyl)sulfanium
CID 157351843
2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 118996048
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
(4-methoxyphenyl)methylsulfanylmethanesulfonamide
CID 14460406
1-iodo-2-(4-methoxyphenyl)benzene;2-(trifluoromethyl)benzenesulfonic acid
CID 173141796
2-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 166439641

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 175046961) is 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(Cc2c(C(F)(F)F)cccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LIKDHLYZKIWPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-22-11-7-5-10(6-8-11)9-12-13(15(16,17)18)3-2-4-14(12)23(19,20)21/h2-8H,9H2,1H3,(H2,19,20,21).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 175046961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).