N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C13H11FN4O3S — CID 126493643

IUPACN-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H11FN4O3S/c1-18-7-10(22(16,20)21)5-12(18)13(19)17-9-2-3-11(14)8(4-9)6-15/h2-5,7H,1H3,(H,17,19)(H2,16,20,21)
InChIKeyGJFBIDYUZAOMPB-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.94
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 126493643) has the molecular formula C13H11FN4O3S and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID126493643
Molecular FormulaC13H11FN4O3S
Molecular Weight322.32 g/mol
Exact Mass322.05
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H11FN4O3S/c1-18-7-10(22(16,20)21)5-12(18)13(19)17-9-2-3-11(14)8(4-9)6-15/h2-5,7H,1H3,(H,17,19)(H2,16,20,21)
InChIKeyGJFBIDYUZAOMPB-UHFFFAOYSA-N
XLogP0.94
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(3-cyano-4-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 123773962
N-(3-cyano-4-fluorophenyl)-4-(4-hydroxy-2,2-dimethylbutyl)sulfonyl-1-methylpyrrole-2-carboxamide
CID 147955389
N-(3-cyano-4-fluorophenyl)-3-fluoro-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 144745454
N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[2-(trifluoromethyl)oxan-4-yl]sulfamoyl]pyrrole-2-carboxamide
CID 151709957
N-(3-cyano-4-fluorophenyl)-1-methyl-4-propan-2-ylsulfinamoylpyrrole-2-carboxamide
CID 146384190
ethyl 2-[4-[(3-cyano-4-fluorophenyl)carbamoyl]-1-methylpyrrol-2-yl]-2-oxoacetate
CID 139551779
N-(3-cyano-4-fluorophenyl)-1-methyl-5-[2-oxo-2-(propan-2-ylamino)acetyl]pyrrole-3-carboxamide
CID 158387175
N-(3-cyano-4-fluorophenyl)-5-[2-(ethylamino)-2-oxoacetyl]-1-methylpyrrole-3-carboxamide
CID 139551632
N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 31518280
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
CID 62315656
5-[(3-cyano-5-fluorophenyl)carbamoyl]-1-methylpyrrole-3-sulfonic acid;hydrochloride
CID 174939775

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 126493643) is N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is GJFBIDYUZAOMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3S/c1-18-7-10(22(16,20)21)5-12(18)13(19)17-9-2-3-11(14)8(4-9)6-15/h2-5,7H,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 126493643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).