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

C15H14ClN3O3S — CID 8777487

IUPACN-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C15H14ClN3O3S/c16-12-4-1-3-11(9-12)10-17-15(20)13-5-2-6-19-7-8-23(21,22)18-14(13)19/h1-6,9H,7-8,10H2,(H,17,20)
InChIKeyGFNLQZCNAZEYRX-UHFFFAOYSA-N
MW351.82 g/mol
LogP1.45
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8777487) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8777487
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C15H14ClN3O3S/c16-12-4-1-3-11(9-12)10-17-15(20)13-5-2-6-19-7-8-23(21,22)18-14(13)19/h1-6,9H,7-8,10H2,(H,17,20)
InChIKeyGFNLQZCNAZEYRX-UHFFFAOYSA-N
XLogP1.45
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8777487) is N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCc1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is GFNLQZCNAZEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c16-12-4-1-3-11(9-12)10-17-15(20)13-5-2-6-19-7-8-23(21,22)18-14(13)19/h1-6,9H,7-8,10H2,(H,17,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 351.82 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8777487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).