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

C20H16N2O2S — CID 10236948

IUPAC4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O2S/c21-25(23,24)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22-20/h1-13,22H,(H2,21,23,24)
InChIKeyDBYVEERPFTUGSV-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.15
Rot. Bonds3

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

4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide (PubChem CID 10236948) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide
PubChem CID10236948
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O2S/c21-25(23,24)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22-20/h1-13,22H,(H2,21,23,24)
InChIKeyDBYVEERPFTUGSV-UHFFFAOYSA-N
XLogP4.15
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide (CID 10236948) is 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The InChIKey is DBYVEERPFTUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c21-25(23,24)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22-20/h1-13,22H,(H2,21,23,24).
What are the key properties of 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide?
4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10236948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).