3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide

C16H13FN2O2S2 — CID 10450423

IUPAC3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2csc(Cc3ccc(F)cc3)n2)c1
InChIInChI=1S/C16H13FN2O2S2/c17-13-6-4-11(5-7-13)8-16-19-15(10-22-16)12-2-1-3-14(9-12)23(18,20)21/h1-7,9-10H,8H2,(H2,18,20,21)
InChIKeyORUIWCIZIDXLBP-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.19
Rot. Bonds4

About 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide

3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 10450423) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID10450423
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2csc(Cc3ccc(F)cc3)n2)c1
InChIInChI=1S/C16H13FN2O2S2/c17-13-6-4-11(5-7-13)8-16-19-15(10-22-16)12-2-1-3-14(9-12)23(18,20)21/h1-7,9-10H,8H2,(H2,18,20,21)
InChIKeyORUIWCIZIDXLBP-UHFFFAOYSA-N
XLogP3.19
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide
CID 10044198
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82154926
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
2-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817296
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-ol
CID 130501430
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide (CID 10450423) is 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2csc(Cc3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is ORUIWCIZIDXLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c17-13-6-4-11(5-7-13)8-16-19-15(10-22-16)12-2-1-3-14(9-12)23(18,20)21/h1-7,9-10H,8H2,(H2,18,20,21).
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10450423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).