5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid

C17H13FN2O6S3 — CID 25352849

IUPAC5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O6S3/c18-12-5-7-13(8-6-12)28(23,24)19-14-3-1-2-4-15(14)20-29(25,26)16-9-11(10-27-16)17(21)22/h1-10,19-20H,(H,21,22)
InChIKeyFODQIZKVLSTYKL-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.19
Rot. Bonds7

About 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid

5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 25352849) has the molecular formula C17H13FN2O6S3 and a molecular weight of 456.50 g/mol. Its IUPAC name is 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID25352849
Molecular FormulaC17H13FN2O6S3
Molecular Weight456.50 g/mol
Exact Mass455.99
IUPAC Name5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O6S3/c18-12-5-7-13(8-6-12)28(23,24)19-14-3-1-2-4-15(14)20-29(25,26)16-9-11(10-27-16)17(21)22/h1-10,19-20H,(H,21,22)
InChIKeyFODQIZKVLSTYKL-UHFFFAOYSA-N
XLogP3.19
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700
5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43229117
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367
2-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2,4-dicarboxamide
CID 154859234
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 60827855
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236888
5-[(2-chloro-4-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39875545

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid (CID 25352849) is 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is FODQIZKVLSTYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O6S3/c18-12-5-7-13(8-6-12)28(23,24)19-14-3-1-2-4-15(14)20-29(25,26)16-9-11(10-27-16)17(21)22/h1-10,19-20H,(H,21,22).
What are the key properties of 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 456.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 25352849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).