2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide

C15H11Cl2N3O4S3 — CID 2287388

IUPAC2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H11Cl2N3O4S3/c16-10-1-6-13(17)14(9-10)27(23,24)19-11-2-4-12(5-3-11)26(21,22)20-15-18-7-8-25-15/h1-9,19H,(H,18,20)
InChIKeyPVMIDMRPYBSZLR-UHFFFAOYSA-N
MW464.38 g/mol
LogP4.05
Rot. Bonds6

About 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 2287388) has the molecular formula C15H11Cl2N3O4S3 and a molecular weight of 464.38 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID2287388
Molecular FormulaC15H11Cl2N3O4S3
Molecular Weight464.38 g/mol
Exact Mass462.93
IUPAC Name2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H11Cl2N3O4S3/c16-10-1-6-13(17)14(9-10)27(23,24)19-11-2-4-12(5-3-11)26(21,22)20-15-18-7-8-25-15/h1-9,19H,(H,18,20)
InChIKeyPVMIDMRPYBSZLR-UHFFFAOYSA-N
XLogP4.05
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 2287388) is 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is PVMIDMRPYBSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4S3/c16-10-1-6-13(17)14(9-10)27(23,24)19-11-2-4-12(5-3-11)26(21,22)20-15-18-7-8-25-15/h1-9,19H,(H,18,20).
What are the key properties of 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 464.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2287388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).