1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine

C19H17F3N2O3S — CID 174226240

IUPAC1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2F)c1OC
InChIInChI=1S/C19H17F3N2O3S/c1-23-10-12-11-24(28(25,26)15-6-3-13(20)4-7-15)18(19(12)27-2)16-8-5-14(21)9-17(16)22/h3-9,11,23H,10H2,1-2H3
InChIKeyAOZARCJNSYSZLU-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.54
Rot. Bonds6

About 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine

1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine (PubChem CID 174226240) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
PubChem CID174226240
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2F)c1OC
InChIInChI=1S/C19H17F3N2O3S/c1-23-10-12-11-24(28(25,26)15-6-3-13(20)4-7-15)18(19(12)27-2)16-8-5-14(21)9-17(16)22/h3-9,11,23H,10H2,1-2H3
InChIKeyAOZARCJNSYSZLU-UHFFFAOYSA-N
XLogP3.54
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.54
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-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine (CID 174226240) is 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2F)c1OC.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine?
The InChIKey is AOZARCJNSYSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-23-10-12-11-24(28(25,26)15-6-3-13(20)4-7-15)18(19(12)27-2)16-8-5-14(21)9-17(16)22/h3-9,11,23H,10H2,1-2H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine?
1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine has a molecular weight of 410.42 g/mol, XLogP of 3.54, 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-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 174226240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).