1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine

C19H20N2O3S — CID 46866596

IUPAC1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20N2O3S/c1-20-13-15-12-19(16-6-4-3-5-7-16)21(14-15)25(22,23)18-10-8-17(24-2)9-11-18/h3-12,14,20H,13H2,1-2H3
InChIKeyBMIMPQBKBZTWCT-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.12
Rot. Bonds6

About 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine

1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 46866596) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
PubChem CID46866596
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20N2O3S/c1-20-13-15-12-19(16-6-4-3-5-7-16)21(14-15)25(22,23)18-10-8-17(24-2)9-11-18/h3-12,14,20H,13H2,1-2H3
InChIKeyBMIMPQBKBZTWCT-UHFFFAOYSA-N
XLogP3.12
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine (CID 46866596) is 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is BMIMPQBKBZTWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-20-13-15-12-19(16-6-4-3-5-7-16)21(14-15)25(22,23)18-10-8-17(24-2)9-11-18/h3-12,14,20H,13H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 356.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 46866596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).