3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C21H14F2N2O2S2 — CID 122286228

IUPAC3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H14F2N2O2S2/c22-18-10-9-17(12-19(18)23)29(26,27)25-16-8-4-7-15(11-16)20-13-28-21(24-20)14-5-2-1-3-6-14/h1-13,25H
InChIKeyFLJFDTIIGMSDMX-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.56
Rot. Bonds5

About 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 122286228) has the molecular formula C21H14F2N2O2S2 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID122286228
Molecular FormulaC21H14F2N2O2S2
Molecular Weight428.49 g/mol
Exact Mass428.05
IUPAC Name3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H14F2N2O2S2/c22-18-10-9-17(12-19(18)23)29(26,27)25-16-8-4-7-15(11-16)20-13-28-21(24-20)14-5-2-1-3-6-14/h1-13,25H
InChIKeyFLJFDTIIGMSDMX-UHFFFAOYSA-N
XLogP5.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692
4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784214
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 108784276
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 122286228) is 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is FLJFDTIIGMSDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S2/c22-18-10-9-17(12-19(18)23)29(26,27)25-16-8-4-7-15(11-16)20-13-28-21(24-20)14-5-2-1-3-6-14/h1-13,25H.
What are the key properties of 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 428.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122286228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).