5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

C20H19FN2O3S — CID 59807611

IUPAC5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1ccccc1F
InChIInChI=1S/C20H19FN2O3S/c1-13-17(12-23(2)19(13)16-6-4-5-7-18(16)21)20(24)22-14-8-10-15(11-9-14)27(3,25)26/h4-12H,1-3H3,(H,22,24)
InChIKeyNGMDBLAAKCMVEB-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.80
Rot. Bonds4

About 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (PubChem CID 59807611) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
PubChem CID59807611
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1ccccc1F
InChIInChI=1S/C20H19FN2O3S/c1-13-17(12-23(2)19(13)16-6-4-5-7-18(16)21)20(24)22-14-8-10-15(11-9-14)27(3,25)26/h4-12H,1-3H3,(H,22,24)
InChIKeyNGMDBLAAKCMVEB-UHFFFAOYSA-N
XLogP3.80
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (CID 59807611) is 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The InChIKey is NGMDBLAAKCMVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-13-17(12-23(2)19(13)16-6-4-5-7-18(16)21)20(24)22-14-8-10-15(11-9-14)27(3,25)26/h4-12H,1-3H3,(H,22,24).
What are the key properties of 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 59807611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).