N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C19H14F3NO2S — CID 67655291

IUPACN-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)15-11-13-17(14-12-15)23(16-7-3-1-4-8-16)26(24,25)18-9-5-2-6-10-18/h1-14H
InChIKeyBIMPKFNEDPDUDM-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.23
Rot. Bonds4

About N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 67655291) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID67655291
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO2S/c20-19(21,22)15-11-13-17(14-12-15)23(16-7-3-1-4-8-16)26(24,25)18-9-5-2-6-10-18/h1-14H
InChIKeyBIMPKFNEDPDUDM-UHFFFAOYSA-N
XLogP5.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 67655291) is N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is BIMPKFNEDPDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-19(21,22)15-11-13-17(14-12-15)23(16-7-3-1-4-8-16)26(24,25)18-9-5-2-6-10-18/h1-14H.
What are the key properties of N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67655291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).