1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine

C21H20F2N2O2S — CID 178134547

IUPAC1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2F)c1C1CC1
InChIInChI=1S/C21H20F2N2O2S/c1-24-12-15-13-25(28(26,27)17-6-4-5-16(22)11-17)21(20(15)14-9-10-14)18-7-2-3-8-19(18)23/h2-8,11,13-14,24H,9-10,12H2,1H3
InChIKeyFZPXJRNTNGQDLS-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.27
Rot. Bonds6

About 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine

1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 178134547) has the molecular formula C21H20F2N2O2S and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
PubChem CID178134547
Molecular FormulaC21H20F2N2O2S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2F)c1C1CC1
InChIInChI=1S/C21H20F2N2O2S/c1-24-12-15-13-25(28(26,27)17-6-4-5-16(22)11-17)21(20(15)14-9-10-14)18-7-2-3-8-19(18)23/h2-8,11,13-14,24H,9-10,12H2,1H3
InChIKeyFZPXJRNTNGQDLS-UHFFFAOYSA-N
XLogP4.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde
CID 178134450
1-[5-(2,5-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 122656862
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 130454904
1-[5-(2,6-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353590
[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
CID 178134549
1-[1-[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]sulfonyl-5-(2-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 167310347
1-[5-(2-chloro-3-pyridinyl)-4-fluoro-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 86624010
N-(cyclopropylsulfamoyl)-3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylaniline;hydrochloride
CID 171614470
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780
1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine
CID 177315081
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(oxetan-2-ylmethyl)aniline
CID 167299083
methyl 4-cyclopropyl-5-(2-fluoro-6-methoxyphenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carboxylate
CID 178134437

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (CID 178134547) is 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2F)c1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is FZPXJRNTNGQDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2S/c1-24-12-15-13-25(28(26,27)17-6-4-5-16(22)11-17)21(20(15)14-9-10-14)18-7-2-3-8-19(18)23/h2-8,11,13-14,24H,9-10,12H2,1H3.
What are the key properties of 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 402.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 178134547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).