2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

C21H14F4N2O2S — CID 141145736

IUPAC2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2c[nH]c3ccccc23)cc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C21H14F4N2O2S/c22-18-10-7-14(21(23,24)25)11-20(18)30(28,29)27-15-8-5-13(6-9-15)17-12-26-19-4-2-1-3-16(17)19/h1-12,26-27H
InChIKeyZYNJKCLZXHBRHV-UHFFFAOYSA-N
MW434.41 g/mol
LogP5.79
Rot. Bonds4

About 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 141145736) has the molecular formula C21H14F4N2O2S and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID141145736
Molecular FormulaC21H14F4N2O2S
Molecular Weight434.41 g/mol
Exact Mass434.07
IUPAC Name2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2c[nH]c3ccccc23)cc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C21H14F4N2O2S/c22-18-10-7-14(21(23,24)25)11-20(18)30(28,29)27-15-8-5-13(6-9-15)17-12-26-19-4-2-1-3-16(17)19/h1-12,26-27H
InChIKeyZYNJKCLZXHBRHV-UHFFFAOYSA-N
XLogP5.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 141145736) is 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2c[nH]c3ccccc23)cc1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZYNJKCLZXHBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O2S/c22-18-10-7-14(21(23,24)25)11-20(18)30(28,29)27-15-8-5-13(6-9-15)17-12-26-19-4-2-1-3-16(17)19/h1-12,26-27H.
What are the key properties of 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 434.41 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 141145736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).