1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine

C18H18N2O2S — CID 66924739

IUPAC1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O2S/c1-19-13-15-12-18(16-8-4-2-5-9-16)20(14-15)23(21,22)17-10-6-3-7-11-17/h2-12,14,19H,13H2,1H3
InChIKeyHXIMTHFWUCSQRF-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.11
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine

1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 66924739) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine
PubChem CID66924739
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O2S/c1-19-13-15-12-18(16-8-4-2-5-9-16)20(14-15)23(21,22)17-10-6-3-7-11-17/h2-12,14,19H,13H2,1H3
InChIKeyHXIMTHFWUCSQRF-UHFFFAOYSA-N
XLogP3.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine (CID 66924739) is 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is HXIMTHFWUCSQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-19-13-15-12-18(16-8-4-2-5-9-16)20(14-15)23(21,22)17-10-6-3-7-11-17/h2-12,14,19H,13H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine?
1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 326.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-5-phenylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66924739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).