5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide

C16H11ClF6N4O3S — CID 123857661

IUPAC5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCC(NS(=O)(=O)c1c(F)c(C(=O)Nc2ccc(F)c(C#N)c2F)n(C)c1Cl)C(F)(F)F
InChIInChI=1S/C16H11ClF6N4O3S/c1-6(16(21,22)23)26-31(29,30)13-11(20)12(27(2)14(13)17)15(28)25-9-4-3-8(18)7(5-24)10(9)19/h3-4,6,26H,1-2H3,(H,25,28)
InChIKeyPCVACRFHYZRKRG-UHFFFAOYSA-N
MW488.80 g/mol
LogP3.45
Rot. Bonds5

About 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide

5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 123857661) has the molecular formula C16H11ClF6N4O3S and a molecular weight of 488.80 g/mol. Its IUPAC name is 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
PubChem CID123857661
Molecular FormulaC16H11ClF6N4O3S
Molecular Weight488.80 g/mol
Exact Mass488.01
IUPAC Name5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCC(NS(=O)(=O)c1c(F)c(C(=O)Nc2ccc(F)c(C#N)c2F)n(C)c1Cl)C(F)(F)F
InChIInChI=1S/C16H11ClF6N4O3S/c1-6(16(21,22)23)26-31(29,30)13-11(20)12(27(2)14(13)17)15(28)25-9-4-3-8(18)7(5-24)10(9)19/h3-4,6,26H,1-2H3,(H,25,28)
InChIKeyPCVACRFHYZRKRG-UHFFFAOYSA-N
XLogP3.45
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.80
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide with MolForge

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Related Compounds

N-(3-cyano-4-fluorophenyl)-3-fluoro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294819
N-(3-cyano-2,4-difluorophenyl)-1-methyl-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]sulfonylpyrrole-2-carboxamide;sulfane
CID 160574461
1-methyl-N-(2,3,4-trifluorophenyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294965
2-chloro-N-(3-cyano-4-fluorophenyl)-1-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 146496659
3-chloro-N-(3-cyano-4-fluorophenyl)-1-propan-2-yl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294898
3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302142
1-(2,2-difluoroethyl)-N-(2,4-difluorophenyl)-3-fluoro-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 178045884
3,5-dichloro-N-(3-cyano-4-fluorophenyl)-1-methyl-4-[2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-2-carboxamide
CID 121409824
N-(3-cyano-4-fluorophenyl)-2-methyl-1-(1,1,1-trifluoropropan-2-ylsulfamoyl)-5,6-dihydroindolizine-3-carboxamide
CID 155278812
N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123178865
N-(3-cyano-4-fluorophenyl)-2-methyl-1-(1,1,1-trifluoropropan-2-ylsulfamoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxamide
CID 155278665
3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123670491

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide (CID 123857661) is 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide is CC(NS(=O)(=O)c1c(F)c(C(=O)Nc2ccc(F)c(C#N)c2F)n(C)c1Cl)C(F)(F)F.
What is the InChIKey of 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is PCVACRFHYZRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N4O3S/c1-6(16(21,22)23)26-31(29,30)13-11(20)12(27(2)14(13)17)15(28)25-9-4-3-8(18)7(5-24)10(9)19/h3-4,6,26H,1-2H3,(H,25,28).
What are the key properties of 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide?
5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 488.80 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 123857661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).