4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide

C16H14N2O3S — CID 21221412

IUPAC4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14N2O3S/c17-22(20,21)15-9-5-13(6-10-15)18-11-1-2-16(18)12-3-7-14(19)8-4-12/h1-11,19H,(H2,17,20,21)
InChIKeyPXONNSQFPKVKLY-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.50
Rot. Bonds3

About 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide

4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide (PubChem CID 21221412) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide
PubChem CID21221412
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14N2O3S/c17-22(20,21)15-9-5-13(6-10-15)18-11-1-2-16(18)12-3-7-14(19)8-4-12/h1-11,19H,(H2,17,20,21)
InChIKeyPXONNSQFPKVKLY-UHFFFAOYSA-N
XLogP2.50
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide (CID 21221412) is 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cccc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide?
The InChIKey is PXONNSQFPKVKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c17-22(20,21)15-9-5-13(6-10-15)18-11-1-2-16(18)12-3-7-14(19)8-4-12/h1-11,19H,(H2,17,20,21).
What are the key properties of 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide?
4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 21221412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).