4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide

C18H17FN2O3S2 — CID 43817227

IUPAC4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-13(22)14-7-9-15(10-8-14)26(23,24)21(18-20-11-4-12-25-18)17-6-3-2-5-16(17)19/h2-3,5-10H,4,11-12H2,1H3
InChIKeyORLCXFYYWYVGBO-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.72
Rot. Bonds4

About 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide

4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 43817227) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID43817227
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-13(22)14-7-9-15(10-8-14)26(23,24)21(18-20-11-4-12-25-18)17-6-3-2-5-16(17)19/h2-3,5-10H,4,11-12H2,1H3
InChIKeyORLCXFYYWYVGBO-UHFFFAOYSA-N
XLogP3.72
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 1431176
4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 1431160
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 646627
N-(2-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431151
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 1431161
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
4-acetylbenzenesulfonyl chloride;4-acetyl-N,N-dimethylbenzenesulfonamide
CID 87987593
4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3781251
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51936085
1-(4-tert-butylphenyl)-2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]ethanone
CID 4751370
N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide
CID 156601231

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide (CID 43817227) is 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1.
What is the InChIKey of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is ORLCXFYYWYVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-13(22)14-7-9-15(10-8-14)26(23,24)21(18-20-11-4-12-25-18)17-6-3-2-5-16(17)19/h2-3,5-10H,4,11-12H2,1H3.
What are the key properties of 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide?
4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43817227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).