4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide

C20H16F3NO3S — CID 23451260

IUPAC4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)ccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO3S/c1-27-19-12-14(8-11-18(19)20(21,22)23)17-5-3-2-4-16(17)13-6-9-15(10-7-13)28(24,25)26/h2-12H,1H3,(H2,24,25,26)
InChIKeyNGOSWWUVXOAJBO-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.70
Rot. Bonds4

About 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide

4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (PubChem CID 23451260) has the molecular formula C20H16F3NO3S and a molecular weight of 407.41 g/mol. Its IUPAC name is 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
PubChem CID23451260
Molecular FormulaC20H16F3NO3S
Molecular Weight407.41 g/mol
Exact Mass407.08
IUPAC Name4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)ccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO3S/c1-27-19-12-14(8-11-18(19)20(21,22)23)17-5-3-2-4-16(17)13-6-9-15(10-7-13)28(24,25)26/h2-12H,1H3,(H2,24,25,26)
InChIKeyNGOSWWUVXOAJBO-UHFFFAOYSA-N
XLogP4.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (CID 23451260) is 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is COc1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)ccc1C(F)(F)F.
What is the InChIKey of 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The InChIKey is NGOSWWUVXOAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3S/c1-27-19-12-14(8-11-18(19)20(21,22)23)17-5-3-2-4-16(17)13-6-9-15(10-7-13)28(24,25)26/h2-12H,1H3,(H2,24,25,26).
What are the key properties of 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide has a molecular weight of 407.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 23451260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).