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

C16H17ClN4O5S2 — CID 55588751

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H17ClN4O5S2/c17-12-3-1-4-13(11-12)28(25,26)19-7-6-18-16(22)14-5-2-8-21-9-10-27(23,24)20-15(14)21/h1-5,8,11,19H,6-7,9-10H2,(H,18,22)
InChIKeyPHZZYBSMKTYJQA-UHFFFAOYSA-N
MW444.92 g/mol
LogP0.23
Rot. Bonds6

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

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55588751) has the molecular formula C16H17ClN4O5S2 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55588751
Molecular FormulaC16H17ClN4O5S2
Molecular Weight444.92 g/mol
Exact Mass444.03
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H17ClN4O5S2/c17-12-3-1-4-13(11-12)28(25,26)19-7-6-18-16(22)14-5-2-8-21-9-10-27(23,24)20-15(14)21/h1-5,8,11,19H,6-7,9-10H2,(H,18,22)
InChIKeyPHZZYBSMKTYJQA-UHFFFAOYSA-N
XLogP0.23
TPSA125.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55588751) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is PHZZYBSMKTYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O5S2/c17-12-3-1-4-13(11-12)28(25,26)19-7-6-18-16(22)14-5-2-8-21-9-10-27(23,24)20-15(14)21/h1-5,8,11,19H,6-7,9-10H2,(H,18,22).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55588751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).