5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid

C16H12Cl2N2O7S3 — CID 118090945

IUPAC5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)oc1C(=O)O
InChIInChI=1S/C16H12Cl2N2O7S3/c1-8-5-13(27-15(8)16(21)22)29(23,24)19-11-6-9(17)10(18)7-12(11)20-30(25,26)14-3-2-4-28-14/h2-7,19-20H,1H3,(H,21,22)
InChIKeyVBSJLNAJTPURPP-UHFFFAOYSA-N
MW511.39 g/mol
LogP4.26
Rot. Bonds7

About 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid

5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid (PubChem CID 118090945) has the molecular formula C16H12Cl2N2O7S3 and a molecular weight of 511.39 g/mol. Its IUPAC name is 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid
PubChem CID118090945
Molecular FormulaC16H12Cl2N2O7S3
Molecular Weight511.39 g/mol
Exact Mass509.92
IUPAC Name5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)oc1C(=O)O
InChIInChI=1S/C16H12Cl2N2O7S3/c1-8-5-13(27-15(8)16(21)22)29(23,24)19-11-6-9(17)10(18)7-12(11)20-30(25,26)14-3-2-4-28-14/h2-7,19-20H,1H3,(H,21,22)
InChIKeyVBSJLNAJTPURPP-UHFFFAOYSA-N
XLogP4.26
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.39
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]furan-3-carboxylic acid
CID 118090946
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
3-[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]propanoic acid
CID 67970147
N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide
CID 67970395
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-[4,5-dichloro-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970274
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57379871
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465

Frequently Asked Questions

What is the IUPAC name of 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid (CID 118090945) is 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)oc1C(=O)O.
What is the InChIKey of 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is VBSJLNAJTPURPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O7S3/c1-8-5-13(27-15(8)16(21)22)29(23,24)19-11-6-9(17)10(18)7-12(11)20-30(25,26)14-3-2-4-28-14/h2-7,19-20H,1H3,(H,21,22).
What are the key properties of 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid?
5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 511.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 118090945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).