N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide

C15H9ClF2N2O2S2 — CID 3748114

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(F)cc1F
InChIInChI=1S/C15H9ClF2N2O2S2/c16-11-4-2-1-3-10(11)13-8-23-15(19-13)20-24(21,22)14-6-5-9(17)7-12(14)18/h1-8H,(H,19,20)
InChIKeyGRRCVZVORVCCDH-UHFFFAOYSA-N
MW386.83 g/mol
LogP4.54
Rot. Bonds4

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide (PubChem CID 3748114) has the molecular formula C15H9ClF2N2O2S2 and a molecular weight of 386.83 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
PubChem CID3748114
Molecular FormulaC15H9ClF2N2O2S2
Molecular Weight386.83 g/mol
Exact Mass385.98
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(F)cc1F
InChIInChI=1S/C15H9ClF2N2O2S2/c16-11-4-2-1-3-10(11)13-8-23-15(19-13)20-24(21,22)14-6-5-9(17)7-12(14)18/h1-8H,(H,19,20)
InChIKeyGRRCVZVORVCCDH-UHFFFAOYSA-N
XLogP4.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 54.54
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 N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide (CID 3748114) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GRRCVZVORVCCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2S2/c16-11-4-2-1-3-10(11)13-8-23-15(19-13)20-24(21,22)14-6-5-9(17)7-12(14)18/h1-8H,(H,19,20).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide has a molecular weight of 386.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3748114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).