5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide

C19H16F2N2O3S — CID 59808065

IUPAC5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O3S/c1-11-16(10-22-18(11)15-8-3-12(20)9-17(15)21)19(24)23-13-4-6-14(7-5-13)27(2,25)26/h3-10,22H,1-2H3,(H,23,24)
InChIKeyHTDHVMGYMOVQGR-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.92
Rot. Bonds4

About 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide

5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 59808065) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID59808065
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC Name5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O3S/c1-11-16(10-22-18(11)15-8-3-12(20)9-17(15)21)19(24)23-13-4-6-14(7-5-13)27(2,25)26/h3-10,22H,1-2H3,(H,23,24)
InChIKeyHTDHVMGYMOVQGR-UHFFFAOYSA-N
XLogP3.92
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 67377491
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 45380876
5-[4-fluoro-2-(trifluoromethyl)phenyl]-1-(3-hydroxybutan-2-yl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 58488522
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide
CID 139699336
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide (CID 59808065) is 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is HTDHVMGYMOVQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c1-11-16(10-22-18(11)15-8-3-12(20)9-17(15)21)19(24)23-13-4-6-14(7-5-13)27(2,25)26/h3-10,22H,1-2H3,(H,23,24).
What are the key properties of 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide?
5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59808065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).