2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C16H11Cl2N3O3S2 — CID 1177181

IUPAC2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O3S2/c17-10-1-6-13(14(18)9-10)15(22)20-11-2-4-12(5-3-11)26(23,24)21-16-19-7-8-25-16/h1-9H,(H,19,21)(H,20,22)
InChIKeyKNTPHJCKWPHKJW-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.50
Rot. Bonds5

About 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1177181) has the molecular formula C16H11Cl2N3O3S2 and a molecular weight of 428.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1177181
Molecular FormulaC16H11Cl2N3O3S2
Molecular Weight428.32 g/mol
Exact Mass426.96
IUPAC Name2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O3S2/c17-10-1-6-13(14(18)9-10)15(22)20-11-2-4-12(5-3-11)26(23,24)21-16-19-7-8-25-16/h1-9H,(H,19,21)(H,20,22)
InChIKeyKNTPHJCKWPHKJW-UHFFFAOYSA-N
XLogP4.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 1177181) is 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is KNTPHJCKWPHKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3S2/c17-10-1-6-13(14(18)9-10)15(22)20-11-2-4-12(5-3-11)26(23,24)21-16-19-7-8-25-16/h1-9H,(H,19,21)(H,20,22).
What are the key properties of 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 428.32 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1177181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).