4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide

C10H7Cl2N3O3S2 — CID 138377014

IUPAC4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1
InChIInChI=1S/C10H7Cl2N3O3S2/c11-7-8(15-19-9(7)12)10(16)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,(H,14,16)(H2,13,17,18)
InChIKeyFSKBBOUZOIOXEW-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.35
Rot. Bonds3

About 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide (PubChem CID 138377014) has the molecular formula C10H7Cl2N3O3S2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide
PubChem CID138377014
Molecular FormulaC10H7Cl2N3O3S2
Molecular Weight352.22 g/mol
Exact Mass350.93
IUPAC Name4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1
InChIInChI=1S/C10H7Cl2N3O3S2/c11-7-8(15-19-9(7)12)10(16)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,(H,14,16)(H2,13,17,18)
InChIKeyFSKBBOUZOIOXEW-UHFFFAOYSA-N
XLogP2.35
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide (CID 138377014) is 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1.
What is the InChIKey of 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is FSKBBOUZOIOXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O3S2/c11-7-8(15-19-9(7)12)10(16)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,(H,14,16)(H2,13,17,18).
What are the key properties of 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 138377014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).