1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine

C19H20N2O2S — CID 66924842

IUPAC1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C19H20N2O2S/c1-15-17(13-20-2)14-21(19(15)16-9-5-3-6-10-16)24(22,23)18-11-7-4-8-12-18/h3-12,14,20H,13H2,1-2H3
InChIKeyIPHXOPIXGTYPDV-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.42
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine

1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 66924842) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
PubChem CID66924842
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C19H20N2O2S/c1-15-17(13-20-2)14-21(19(15)16-9-5-3-6-10-16)24(22,23)18-11-7-4-8-12-18/h3-12,14,20H,13H2,1-2H3
InChIKeyIPHXOPIXGTYPDV-UHFFFAOYSA-N
XLogP3.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine (CID 66924842) is 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C.
What is the InChIKey of 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is IPHXOPIXGTYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-15-17(13-20-2)14-21(19(15)16-9-5-3-6-10-16)24(22,23)18-11-7-4-8-12-18/h3-12,14,20H,13H2,1-2H3.
What are the key properties of 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine?
1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 340.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66924842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).