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

C18H16F2N2O2S — CID 11559584

IUPAC1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C18H16F2N2O2S/c1-21-11-13-10-17(14-6-2-3-7-15(14)19)22(12-13)25(23,24)18-9-5-4-8-16(18)20/h2-10,12,21H,11H2,1H3
InChIKeyYPGZNVJLSZKSGN-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.39
Rot. Bonds5

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

1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 11559584) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
PubChem CID11559584
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC Name1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C18H16F2N2O2S/c1-21-11-13-10-17(14-6-2-3-7-15(14)19)22(12-13)25(23,24)18-9-5-4-8-16(18)20/h2-10,12,21H,11H2,1H3
InChIKeyYPGZNVJLSZKSGN-UHFFFAOYSA-N
XLogP3.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (CID 11559584) is 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is YPGZNVJLSZKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c1-21-11-13-10-17(14-6-2-3-7-15(14)19)22(12-13)25(23,24)18-9-5-4-8-16(18)20/h2-10,12,21H,11H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 362.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 11559584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).