4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide

C20H16N2O3S — CID 22285782

IUPAC4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N2O3S/c21-26(24,25)16-11-7-14(8-12-16)20-19(13-5-9-15(23)10-6-13)17-3-1-2-4-18(17)22-20/h1-12,22-23H,(H2,21,24,25)
InChIKeyPHPRYDLGOXSUBX-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.85
Rot. Bonds3

About 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide

4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide (PubChem CID 22285782) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide
PubChem CID22285782
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N2O3S/c21-26(24,25)16-11-7-14(8-12-16)20-19(13-5-9-15(23)10-6-13)17-3-1-2-4-18(17)22-20/h1-12,22-23H,(H2,21,24,25)
InChIKeyPHPRYDLGOXSUBX-UHFFFAOYSA-N
XLogP3.85
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide (CID 22285782) is 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
The InChIKey is PHPRYDLGOXSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c21-26(24,25)16-11-7-14(8-12-16)20-19(13-5-9-15(23)10-6-13)17-3-1-2-4-18(17)22-20/h1-12,22-23H,(H2,21,24,25).
What are the key properties of 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide?
4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-1H-indol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22285782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).