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

C20H22N2O2S — CID 66924782

IUPACN-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
SMILESCNCc1cn(S(=O)(=O)c2cccc(C)c2)c(-c2ccccc2)c1C
InChIInChI=1S/C20H22N2O2S/c1-15-8-7-11-19(12-15)25(23,24)22-14-18(13-21-3)16(2)20(22)17-9-5-4-6-10-17/h4-12,14,21H,13H2,1-3H3
InChIKeyUQAVKBZLOZVCFA-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.73
Rot. Bonds5

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

N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine (PubChem CID 66924782) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
PubChem CID66924782
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
SMILESCNCc1cn(S(=O)(=O)c2cccc(C)c2)c(-c2ccccc2)c1C
InChIInChI=1S/C20H22N2O2S/c1-15-8-7-11-19(12-15)25(23,24)22-14-18(13-21-3)16(2)20(22)17-9-5-4-6-10-17/h4-12,14,21H,13H2,1-3H3
InChIKeyUQAVKBZLOZVCFA-UHFFFAOYSA-N
XLogP3.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
CID 66924968
1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine
CID 66925222
1-[1-(benzenesulfonyl)-5-phenyl-4-propylpyrrol-3-yl]-N-methylmethanamine
CID 66924746
1-[5-(2,6-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353590
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
N-methyl-1-[1-[(5-methyl-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]methanamine;dihydrochloride
CID 66974560
1-[5-(2-chloro-3-pyridinyl)-4-fluoro-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 86624010
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 130454904
1-[5-(2,5-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 122656862
1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
CID 177397978
1-[5-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353587

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine (CID 66924782) is N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine is CNCc1cn(S(=O)(=O)c2cccc(C)c2)c(-c2ccccc2)c1C.
What is the InChIKey of N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
The InChIKey is UQAVKBZLOZVCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-8-7-11-19(12-15)25(23,24)22-14-18(13-21-3)16(2)20(22)17-9-5-4-6-10-17/h4-12,14,21H,13H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine?
N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine has a molecular weight of 354.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine is sourced from PubChem (CID 66924782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).