4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid

C14H13N3O5S — CID 139011924

IUPAC4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C14H13N3O5S/c1-8-13(6-12(22-8)14(18)19)23(20,21)17-11-5-9(7-15)3-4-10(11)16-2/h3-6,16-17H,1-2H3,(H,18,19)
InChIKeyVFNGTZWQKORMAQ-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.00
Rot. Bonds5

About 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 139011924) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID139011924
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C14H13N3O5S/c1-8-13(6-12(22-8)14(18)19)23(20,21)17-11-5-9(7-15)3-4-10(11)16-2/h3-6,16-17H,1-2H3,(H,18,19)
InChIKeyVFNGTZWQKORMAQ-UHFFFAOYSA-N
XLogP2.00
TPSA132.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867043
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103477725
4-[(3-ethynylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804129
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042
4-[(2-chloro-4-cyanoanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 107808922
4-cyano-2-(methylamino)benzoic acid
CID 130869011
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805754
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 106996494

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 139011924) is 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid is CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is VFNGTZWQKORMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-8-13(6-12(22-8)14(18)19)23(20,21)17-11-5-9(7-15)3-4-10(11)16-2/h3-6,16-17H,1-2H3,(H,18,19).
What are the key properties of 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 335.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 139011924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).