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

C12H10ClNO5S — CID 62805754

IUPAC4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-3-8(13)5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyARHLBRQQCJBRDX-UHFFFAOYSA-N
MW315.73 g/mol
LogP2.74
Rot. Bonds4

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

4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62805754) has the molecular formula C12H10ClNO5S and a molecular weight of 315.73 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62805754
Molecular FormulaC12H10ClNO5S
Molecular Weight315.73 g/mol
Exact Mass315.00
IUPAC Name4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-3-8(13)5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyARHLBRQQCJBRDX-UHFFFAOYSA-N
XLogP2.74
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethynylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804129
4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867043
4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803058
4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103477725
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042
N-(3-chlorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292481
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26721810
4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867044
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789500

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62805754) is 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is ARHLBRQQCJBRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-3-8(13)5-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 315.73 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62805754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).