2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide

C19H22F3NO3S — CID 68932963

IUPAC2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide
SMILESCOc1ccccc1-c1ccc(C(F)(F)F)cc1C(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C19H22F3NO3S/c1-12(2)17(11-27(23,24)25)16-10-13(19(20,21)22)8-9-14(16)15-6-4-5-7-18(15)26-3/h4-10,12,17H,11H2,1-3H3,(H2,23,24,25)
InChIKeyLIXBXGPPVPBQHH-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.41
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide

2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide (PubChem CID 68932963) has the molecular formula C19H22F3NO3S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide
PubChem CID68932963
Molecular FormulaC19H22F3NO3S
Molecular Weight401.45 g/mol
Exact Mass401.13
IUPAC Name2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide
SMILESCOc1ccccc1-c1ccc(C(F)(F)F)cc1C(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C19H22F3NO3S/c1-12(2)17(11-27(23,24)25)16-10-13(19(20,21)22)8-9-14(16)15-6-4-5-7-18(15)26-3/h4-10,12,17H,11H2,1-3H3,(H2,23,24,25)
InChIKeyLIXBXGPPVPBQHH-UHFFFAOYSA-N
XLogP4.41
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide (CID 68932963) is 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide is COc1ccccc1-c1ccc(C(F)(F)F)cc1C(CS(N)(=O)=O)C(C)C.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide?
The InChIKey is LIXBXGPPVPBQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3S/c1-12(2)17(11-27(23,24)25)16-10-13(19(20,21)22)8-9-14(16)15-6-4-5-7-18(15)26-3/h4-10,12,17H,11H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide?
2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide has a molecular weight of 401.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 68932963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).