4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide

C19H20N2O3S — CID 68645665

IUPAC4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)O)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H20N2O3S/c1-13-11-19(16-5-3-15(4-6-16)14(2)22)21(12-13)17-7-9-18(10-8-17)25(20,23)24/h3-12,14,22H,1-2H3,(H2,20,23,24)
InChIKeyYFCFPDNNYSRMKP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.15
Rot. Bonds4

About 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide

4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide (PubChem CID 68645665) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide
PubChem CID68645665
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)O)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H20N2O3S/c1-13-11-19(16-5-3-15(4-6-16)14(2)22)21(12-13)17-7-9-18(10-8-17)25(20,23)24/h3-12,14,22H,1-2H3,(H2,20,23,24)
InChIKeyYFCFPDNNYSRMKP-UHFFFAOYSA-N
XLogP3.15
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide (CID 68645665) is 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide is Cc1cc(-c2ccc(C(C)O)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide?
The InChIKey is YFCFPDNNYSRMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-11-19(16-5-3-15(4-6-16)14(2)22)21(12-13)17-7-9-18(10-8-17)25(20,23)24/h3-12,14,22H,1-2H3,(H2,20,23,24).
What are the key properties of 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide?
4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 68645665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).