2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid

C15H16N2O5S2 — CID 6504079

IUPAC2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
SMILESCC(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H16N2O5S2/c1-9(2)17-24(21,22)10-7-13(23-8-10)14(18)16-12-6-4-3-5-11(12)15(19)20/h3-9,17H,1-2H3,(H,16,18)(H,19,20)
InChIKeyCSHWTIFLHJNLEL-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.39
Rot. Bonds6

About 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid

2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid (PubChem CID 6504079) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
PubChem CID6504079
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
SMILESCC(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H16N2O5S2/c1-9(2)17-24(21,22)10-7-13(23-8-10)14(18)16-12-6-4-3-5-11(12)15(19)20/h3-9,17H,1-2H3,(H,16,18)(H,19,20)
InChIKeyCSHWTIFLHJNLEL-UHFFFAOYSA-N
XLogP2.39
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid (CID 6504079) is 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid is CC(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
The InChIKey is CSHWTIFLHJNLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-9(2)17-24(21,22)10-7-13(23-8-10)14(18)16-12-6-4-3-5-11(12)15(19)20/h3-9,17H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid?
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid has a molecular weight of 368.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 6504079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).