N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C12H14ClFN2O3S — CID 47230286

IUPACN-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O3S/c13-10-7-9(1-2-11(10)14)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyHRNGKBVLIVGSMT-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.15
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 47230286) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID47230286
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O3S/c13-10-7-9(1-2-11(10)14)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyHRNGKBVLIVGSMT-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 47230286) is N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is HRNGKBVLIVGSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c13-10-7-9(1-2-11(10)14)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8H2,(H,15,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 320.77 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 47230286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).