N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide

C19H18F4N4O4S — CID 151709957

IUPACN-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2CCOC(C(F)(F)F)C2)cc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C19H18F4N4O4S/c1-27-10-14(32(29,30)26-13-4-5-31-17(7-13)19(21,22)23)8-16(27)18(28)25-12-2-3-15(20)11(6-12)9-24/h2-3,6,8,10,13,17,26H,4-5,7H2,1H3,(H,25,28)
InChIKeyRGIPXTSQAVXXKO-UHFFFAOYSA-N
MW474.44 g/mol
LogP2.68
Rot. Bonds5

About N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide

N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 151709957) has the molecular formula C19H18F4N4O4S and a molecular weight of 474.44 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID151709957
Molecular FormulaC19H18F4N4O4S
Molecular Weight474.44 g/mol
Exact Mass474.10
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2CCOC(C(F)(F)F)C2)cc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C19H18F4N4O4S/c1-27-10-14(32(29,30)26-13-4-5-31-17(7-13)19(21,22)23)8-16(27)18(28)25-12-2-3-15(20)11(6-12)9-24/h2-3,6,8,10,13,17,26H,4-5,7H2,1H3,(H,25,28)
InChIKeyRGIPXTSQAVXXKO-UHFFFAOYSA-N
XLogP2.68
TPSA113.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 126493643
4-(butan-2-ylsulfamoyl)-N-(3-cyano-4-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 123773962
N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 121294822
N-(3-cyano-4-fluorophenyl)-4-(4-hydroxy-2,2-dimethylbutyl)sulfonyl-1-methylpyrrole-2-carboxamide
CID 147955389
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-4-[[(2R)-1,1,1-trifluorobut-3-yn-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 162546522
N-(3-bromo-4-fluorophenyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294938
N-(3-cyano-4-fluorophenyl)-1-methyl-4-propan-2-ylsulfinamoylpyrrole-2-carboxamide
CID 146384190
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 159175155
3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-(cyclopropylamino)-1,1-difluoro-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 142392410
N-(3-cyano-4-fluorophenyl)-3-fluoro-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 144745454
N-(3,4-difluorophenyl)-4-[(8-hydroxy-8-methyl-3-bicyclo[3.2.1]octanyl)sulfonyl]-1-methylpyrrole-2-carboxamide
CID 130402084
ethyl 2-[4-[(3-cyano-4-fluorophenyl)carbamoyl]-1-methylpyrrol-2-yl]-2-oxoacetate
CID 139551779

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide (CID 151709957) is N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NC2CCOC(C(F)(F)F)C2)cc1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is RGIPXTSQAVXXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O4S/c1-27-10-14(32(29,30)26-13-4-5-31-17(7-13)19(21,22)23)8-16(27)18(28)25-12-2-3-15(20)11(6-12)9-24/h2-3,6,8,10,13,17,26H,4-5,7H2,1H3,(H,25,28).
What are the key properties of N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide?
N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 151709957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).