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

C18H19FN2O4S2 — CID 1431176

IUPACN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1OC
InChIInChI=1S/C18H19FN2O4S2/c1-24-16-9-8-13(12-17(16)25-2)27(22,23)21(18-20-10-5-11-26-18)15-7-4-3-6-14(15)19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyWETXHYYWOFUPJD-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.53
Rot. Bonds5

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

N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 1431176) has the molecular formula C18H19FN2O4S2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID1431176
Molecular FormulaC18H19FN2O4S2
Molecular Weight410.49 g/mol
Exact Mass410.08
IUPAC NameN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1OC
InChIInChI=1S/C18H19FN2O4S2/c1-24-16-9-8-13(12-17(16)25-2)27(22,23)21(18-20-10-5-11-26-18)15-7-4-3-6-14(15)19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyWETXHYYWOFUPJD-UHFFFAOYSA-N
XLogP3.53
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (CID 1431176) is N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1OC.
What is the InChIKey of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is WETXHYYWOFUPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S2/c1-24-16-9-8-13(12-17(16)25-2)27(22,23)21(18-20-10-5-11-26-18)15-7-4-3-6-14(15)19/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 410.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1431176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).