2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C15H9ClF2N2O2S2 — CID 7941095

IUPAC2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1Cl
InChIInChI=1S/C15H9ClF2N2O2S2/c16-10-3-1-2-4-14(10)24(21,22)20-15-19-13(8-23-15)9-5-6-11(17)12(18)7-9/h1-8H,(H,19,20)
InChIKeyIOGHSVBZLRLSKT-UHFFFAOYSA-N
MW386.83 g/mol
LogP4.54
Rot. Bonds4

About 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 7941095) has the molecular formula C15H9ClF2N2O2S2 and a molecular weight of 386.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID7941095
Molecular FormulaC15H9ClF2N2O2S2
Molecular Weight386.83 g/mol
Exact Mass385.98
IUPAC Name2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1Cl
InChIInChI=1S/C15H9ClF2N2O2S2/c16-10-3-1-2-4-14(10)24(21,22)20-15-19-13(8-23-15)9-5-6-11(17)12(18)7-9/h1-8H,(H,19,20)
InChIKeyIOGHSVBZLRLSKT-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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Related Compounds

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
CID 3748114
4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10761363
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603622
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 25024188
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
2-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 167896231
methyl 4-fluoro-3-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 95038335
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 7941095) is 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is IOGHSVBZLRLSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2S2/c16-10-3-1-2-4-14(10)24(21,22)20-15-19-13(8-23-15)9-5-6-11(17)12(18)7-9/h1-8H,(H,19,20).
What are the key properties of 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide 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 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 7941095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).