2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C22H17FN4O3S2 — CID 100691544

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C22H17FN4O3S2/c23-18-13-7-8-14-19(18)27(32(29,30)17-11-5-2-6-12-17)15-20(28)24-22-26-25-21(31-22)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26,28)
InChIKeyKBJOVBRYQLULBP-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.18
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 100691544) has the molecular formula C22H17FN4O3S2 and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID100691544
Molecular FormulaC22H17FN4O3S2
Molecular Weight468.54 g/mol
Exact Mass468.07
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C22H17FN4O3S2/c23-18-13-7-8-14-19(18)27(32(29,30)17-11-5-2-6-12-17)15-20(28)24-22-26-25-21(31-22)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26,28)
InChIKeyKBJOVBRYQLULBP-UHFFFAOYSA-N
XLogP4.18
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100693016
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100717156
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100526896
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100546723
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100731691
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772734
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
CID 1365040
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2,6-diethylphenyl)acetamide
CID 126120612
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-ethylphenyl)acetamide
CID 1095217
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566899
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100559440
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43910550

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 100691544) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KBJOVBRYQLULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S2/c23-18-13-7-8-14-19(18)27(32(29,30)17-11-5-2-6-12-17)15-20(28)24-22-26-25-21(31-22)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 468.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 100691544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).