1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine

C19H18F2N2O3S — CID 66924833

IUPAC1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(F)cc2F)n(S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H18F2N2O3S/c1-22-11-13-9-19(17-8-3-14(20)10-18(17)21)23(12-13)27(24,25)16-6-4-15(26-2)5-7-16/h3-10,12,22H,11H2,1-2H3
InChIKeyFVKMOZFYRACSIQ-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.40
Rot. Bonds6

About 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine

1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 66924833) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
PubChem CID66924833
Molecular FormulaC19H18F2N2O3S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(F)cc2F)n(S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H18F2N2O3S/c1-22-11-13-9-19(17-8-3-14(20)10-18(17)21)23(12-13)27(24,25)16-6-4-15(26-2)5-7-16/h3-10,12,22H,11H2,1-2H3
InChIKeyFVKMOZFYRACSIQ-UHFFFAOYSA-N
XLogP3.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (CID 66924833) is 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(F)cc2F)n(S(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is FVKMOZFYRACSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c1-22-11-13-9-19(17-8-3-14(20)10-18(17)21)23(12-13)27(24,25)16-6-4-15(26-2)5-7-16/h3-10,12,22H,11H2,1-2H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 392.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66924833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).