N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C16H15ClFN3O3S — CID 9168387

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H15ClFN3O3S/c1-20(10-12-13(17)5-2-6-14(12)18)16(22)11-4-3-7-21-8-9-25(23,24)19-15(11)21/h2-7H,8-10H2,1H3
InChIKeyJKPWYLCZHRCBNP-UHFFFAOYSA-N
MW383.83 g/mol
LogP1.94
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 9168387) has the molecular formula C16H15ClFN3O3S and a molecular weight of 383.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID9168387
Molecular FormulaC16H15ClFN3O3S
Molecular Weight383.83 g/mol
Exact Mass383.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H15ClFN3O3S/c1-20(10-12-13(17)5-2-6-14(12)18)16(22)11-4-3-7-21-8-9-25(23,24)19-15(11)21/h2-7H,8-10H2,1H3
InChIKeyJKPWYLCZHRCBNP-UHFFFAOYSA-N
XLogP1.94
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 9168387) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is JKPWYLCZHRCBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3S/c1-20(10-12-13(17)5-2-6-14(12)18)16(22)11-4-3-7-21-8-9-25(23,24)19-15(11)21/h2-7H,8-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 383.83 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 9168387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).