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

C17H16N2O3S — CID 67604596

IUPACN-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cccc1-c1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-13-14-8-10-15(11-9-14)17-7-4-12-19(17)18-23(21,22)16-5-2-1-3-6-16/h1-12,18,20H,13H2
InChIKeyAJBPQVOIAUHAOB-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.58
Rot. Bonds5

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

N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide (PubChem CID 67604596) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
PubChem CID67604596
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cccc1-c1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-13-14-8-10-15(11-9-14)17-7-4-12-19(17)18-23(21,22)16-5-2-1-3-6-16/h1-12,18,20H,13H2
InChIKeyAJBPQVOIAUHAOB-UHFFFAOYSA-N
XLogP2.58
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide (CID 67604596) is N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide is O=S(=O)(Nn1cccc1-c1ccc(CO)cc1)c1ccccc1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
The InChIKey is AJBPQVOIAUHAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-13-14-8-10-15(11-9-14)17-7-4-12-19(17)18-23(21,22)16-5-2-1-3-6-16/h1-12,18,20H,13H2.
What are the key properties of N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide?
N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)phenyl]pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67604596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).