4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C13H12ClNO5S — CID 71867043

IUPAC4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)O)oc2C)c1Cl
InChIInChI=1S/C13H12ClNO5S/c1-7-4-3-5-9(12(7)14)15-21(18,19)11-6-10(13(16)17)20-8(11)2/h3-6,15H,1-2H3,(H,16,17)
InChIKeyZGONQDZHINPTAB-UHFFFAOYSA-N
MW329.76 g/mol
LogP3.05
Rot. Bonds4

About 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 71867043) has the molecular formula C13H12ClNO5S and a molecular weight of 329.76 g/mol. Its IUPAC name is 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID71867043
Molecular FormulaC13H12ClNO5S
Molecular Weight329.76 g/mol
Exact Mass329.01
IUPAC Name4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)O)oc2C)c1Cl
InChIInChI=1S/C13H12ClNO5S/c1-7-4-3-5-9(12(7)14)15-21(18,19)11-6-10(13(16)17)20-8(11)2/h3-6,15H,1-2H3,(H,16,17)
InChIKeyZGONQDZHINPTAB-UHFFFAOYSA-N
XLogP3.05
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103477725
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805754
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803058
4-[(3-ethynylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804129
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139011924
5-[(2-chloro-3-methylanilino)methyl]furan-2-carboxylic acid
CID 114250964
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 71867043) is 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)oc2C)c1Cl.
What is the InChIKey of 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is ZGONQDZHINPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO5S/c1-7-4-3-5-9(12(7)14)15-21(18,19)11-6-10(13(16)17)20-8(11)2/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 329.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 71867043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).