N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine

C19H20N2O2S — CID 66561648

IUPACN-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H20N2O2S/c1-15-8-10-18(11-9-15)24(22,23)21-14-16(13-20-2)12-19(21)17-6-4-3-5-7-17/h3-12,14,20H,13H2,1-2H3
InChIKeyMWLJMHNEIIFTPT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine

N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine (PubChem CID 66561648) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
PubChem CID66561648
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H20N2O2S/c1-15-8-10-18(11-9-15)24(22,23)21-14-16(13-20-2)12-19(21)17-6-4-3-5-7-17/h3-12,14,20H,13H2,1-2H3
InChIKeyMWLJMHNEIIFTPT-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 N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine (CID 66561648) is N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine is CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
The InChIKey is MWLJMHNEIIFTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-15-8-10-18(11-9-15)24(22,23)21-14-16(13-20-2)12-19(21)17-6-4-3-5-7-17/h3-12,14,20H,13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine 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 N-methyl-1-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine is sourced from PubChem (CID 66561648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).