N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide

C13H11N3O4S4 — CID 2207293

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H11N3O4S4/c17-23(18,16-13-14-7-9-22-13)11-5-3-10(4-6-11)15-24(19,20)12-2-1-8-21-12/h1-9,15H,(H,14,16)
InChIKeyYZKRUTPBGNLTFW-UHFFFAOYSA-N
MW401.52 g/mol
LogP2.81
Rot. Bonds6

About N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2207293) has the molecular formula C13H11N3O4S4 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
PubChem CID2207293
Molecular FormulaC13H11N3O4S4
Molecular Weight401.52 g/mol
Exact Mass400.96
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H11N3O4S4/c17-23(18,16-13-14-7-9-22-13)11-5-3-10(4-6-11)15-24(19,20)12-2-1-8-21-12/h1-9,15H,(H,14,16)
InChIKeyYZKRUTPBGNLTFW-UHFFFAOYSA-N
XLogP2.81
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide (CID 2207293) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is YZKRUTPBGNLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S4/c17-23(18,16-13-14-7-9-22-13)11-5-3-10(4-6-11)15-24(19,20)12-2-1-8-21-12/h1-9,15H,(H,14,16).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 401.52 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2207293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).