6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide

C24H18F3NO3S — CID 57400356

IUPAC6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc2c1
InChIInChI=1S/C24H18F3NO3S/c1-31-22-11-7-19-15-23(12-8-18(19)14-22)32(29,30)28-21-9-5-16(6-10-21)17-3-2-4-20(13-17)24(25,26)27/h2-15,28H,1H3
InChIKeyQPHYLDHPPSIADW-UHFFFAOYSA-N
MW457.47 g/mol
LogP6.34
Rot. Bonds5

About 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide

6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 57400356) has the molecular formula C24H18F3NO3S and a molecular weight of 457.47 g/mol. Its IUPAC name is 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide
PubChem CID57400356
Molecular FormulaC24H18F3NO3S
Molecular Weight457.47 g/mol
Exact Mass457.10
IUPAC Name6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc2c1
InChIInChI=1S/C24H18F3NO3S/c1-31-22-11-7-19-15-23(12-8-18(19)14-22)32(29,30)28-21-9-5-16(6-10-21)17-3-2-4-20(13-17)24(25,26)27/h2-15,28H,1H3
InChIKeyQPHYLDHPPSIADW-UHFFFAOYSA-N
XLogP6.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide (CID 57400356) is 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is QPHYLDHPPSIADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO3S/c1-31-22-11-7-19-15-23(12-8-18(19)14-22)32(29,30)28-21-9-5-16(6-10-21)17-3-2-4-20(13-17)24(25,26)27/h2-15,28H,1H3.
What are the key properties of 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide?
6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 457.47 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 57400356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).