2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

C17H13F3N2O2S2 — CID 7518696

IUPAC2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1cc(F)ccc1F
InChIInChI=1S/C17H13F3N2O2S2/c18-12-3-1-2-11(8-12)17-22-14(10-25-17)6-7-21-26(23,24)16-9-13(19)4-5-15(16)20/h1-5,8-10,21H,6-7H2
InChIKeyACOBWVGJXYJERE-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.75
Rot. Bonds6

About 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 7518696) has the molecular formula C17H13F3N2O2S2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID7518696
Molecular FormulaC17H13F3N2O2S2
Molecular Weight398.43 g/mol
Exact Mass398.04
IUPAC Name2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1cc(F)ccc1F
InChIInChI=1S/C17H13F3N2O2S2/c18-12-3-1-2-11(8-12)17-22-14(10-25-17)6-7-21-26(23,24)16-9-13(19)4-5-15(16)20/h1-5,8-10,21H,6-7H2
InChIKeyACOBWVGJXYJERE-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
4-Phenyl-2-thiazoleethanamine
CID 1497794
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzene-1-sulfonamide
CID 4851019
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
1-[5-(benzenesulfonyl)-4-phenyl-1,3-thiazol-2-yl]-N-methylmethanamine
CID 57687718
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 7518696) is 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is ACOBWVGJXYJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S2/c18-12-3-1-2-11(8-12)17-22-14(10-25-17)6-7-21-26(23,24)16-9-13(19)4-5-15(16)20/h1-5,8-10,21H,6-7H2.
What are the key properties of 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 398.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 7518696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).