4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide

C17H16N2O3S — CID 21221510

IUPAC4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C17H16N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-11-1-2-17(19)14-5-3-13(12-20)4-6-14/h1-11,20H,12H2,(H2,18,21,22)
InChIKeyARTRMVPGIISKMC-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.28
Rot. Bonds4

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

4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide (PubChem CID 21221510) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
PubChem CID21221510
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C17H16N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-11-1-2-17(19)14-5-3-13(12-20)4-6-14/h1-11,20H,12H2,(H2,18,21,22)
InChIKeyARTRMVPGIISKMC-UHFFFAOYSA-N
XLogP2.28
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide (CID 21221510) is 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cccc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
The InChIKey is ARTRMVPGIISKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-11-1-2-17(19)14-5-3-13(12-20)4-6-14/h1-11,20H,12H2,(H2,18,21,22).
What are the key properties of 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 21221510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).