2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide

C15H10Cl2N2O2S2 — CID 2916390

IUPAC2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O2S2/c16-11-6-7-12(17)14(8-11)23(20,21)19-15-18-13(9-22-15)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeySCRKSXXFCOXJCD-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.92
Rot. Bonds4

About 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide

2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 2916390) has the molecular formula C15H10Cl2N2O2S2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID2916390
Molecular FormulaC15H10Cl2N2O2S2
Molecular Weight385.30 g/mol
Exact Mass383.96
IUPAC Name2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O2S2/c16-11-6-7-12(17)14(8-11)23(20,21)19-15-18-13(9-22-15)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeySCRKSXXFCOXJCD-UHFFFAOYSA-N
XLogP4.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 2916390) is 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SCRKSXXFCOXJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S2/c16-11-6-7-12(17)14(8-11)23(20,21)19-15-18-13(9-22-15)10-4-2-1-3-5-10/h1-9H,(H,18,19).
What are the key properties of 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 385.30 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 2916390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).