4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide

C20H15FN2O2S — CID 12965791

IUPAC4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H15FN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25)
InChIKeyPOMWEKQWFYLSLU-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.29
Rot. Bonds3

About 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide

4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide (PubChem CID 12965791) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide
PubChem CID12965791
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H15FN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25)
InChIKeyPOMWEKQWFYLSLU-UHFFFAOYSA-N
XLogP4.29
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide (CID 12965791) is 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The InChIKey is POMWEKQWFYLSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25).
What are the key properties of 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide has a molecular weight of 366.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonamide is sourced from PubChem (CID 12965791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).