4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide

C19H20N2O3S — CID 140981238

IUPAC4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2cc(C)cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-14-12-19(15-4-8-17(24-3)9-5-15)21(13-14)16-6-10-18(11-7-16)25(22,23)20-2/h4-13,20H,1-3H3
InChIKeyFBWDPJXHNMYTLP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.37
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide

4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide (PubChem CID 140981238) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide
PubChem CID140981238
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2cc(C)cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-14-12-19(15-4-8-17(24-3)9-5-15)21(13-14)16-6-10-18(11-7-16)25(22,23)20-2/h4-13,20H,1-3H3
InChIKeyFBWDPJXHNMYTLP-UHFFFAOYSA-N
XLogP3.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide (CID 140981238) is 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-n2cc(C)cc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is FBWDPJXHNMYTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14-12-19(15-4-8-17(24-3)9-5-15)21(13-14)16-6-10-18(11-7-16)25(22,23)20-2/h4-13,20H,1-3H3.
What are the key properties of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?
4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 140981238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).