N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C13H16ClFN2O3S — CID 71978582

IUPACN-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(NC(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O3S/c1-9(12-10(14)3-2-4-11(12)15)16-13(18)17-5-7-21(19,20)8-6-17/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyRVLZNZGJEFTGKY-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.98
Rot. Bonds2

About N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 71978582) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID71978582
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC NameN-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(NC(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O3S/c1-9(12-10(14)3-2-4-11(12)15)16-13(18)17-5-7-21(19,20)8-6-17/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyRVLZNZGJEFTGKY-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonyl)piperidine-1-carboxamide
CID 46225085
N-(2-chloro-4-fluorobenzyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3244069
N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 51083459
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(methylsulfamoyl)acetamide
CID 71974935
N-[1-(2-chlorophenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72012390
1-[1-(4-Chlorophenyl)propan-2-yl]-1-methyl-3-(2-methylsulfonylethyl)urea
CID 72130556
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72130794
3-[2-(2-Chlorophenyl)ethyl]-1-ethyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136359
3-[3-(4-Chlorophenyl)propyl]-1-methyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136905
3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
CID 4143059
N-(4-chlorobenzyl)-4-(methylsulfonyl)piperidine-1-carboxamide
CID 71805739
1-[(2-Chloro-6-fluorophenyl)methyl]-1-methyl-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 42928226

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 71978582) is N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC(NC(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1Cl.
What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is RVLZNZGJEFTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c1-9(12-10(14)3-2-4-11(12)15)16-13(18)17-5-7-21(19,20)8-6-17/h2-4,9H,5-8H2,1H3,(H,16,18).
What are the key properties of N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 71978582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).