2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide

C15H9Cl2N3OS — CID 139622774

IUPAC2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
SMILESO=C(Nn1c(=S)ccc2cccnc21)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2N3OS/c16-10-4-1-5-11(17)13(10)15(21)19-20-12(22)7-6-9-3-2-8-18-14(9)20/h1-8H,(H,19,21)
InChIKeyKWIKHEGGMUPRBC-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.46
Rot. Bonds2

About 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide

2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide (PubChem CID 139622774) has the molecular formula C15H9Cl2N3OS and a molecular weight of 350.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
PubChem CID139622774
Molecular FormulaC15H9Cl2N3OS
Molecular Weight350.23 g/mol
Exact Mass348.98
IUPAC Name2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
SMILESO=C(Nn1c(=S)ccc2cccnc21)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2N3OS/c16-10-4-1-5-11(17)13(10)15(21)19-20-12(22)7-6-9-3-2-8-18-14(9)20/h1-8H,(H,19,21)
InChIKeyKWIKHEGGMUPRBC-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
CID 139622393
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
CID 139622317
1-(cyclohexylamino)-1,8-naphthyridine-2-thione
CID 139622396
1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
N-pyrrolo[2,3-b]pyridin-1-ylcyclopropanecarboxamide
CID 163598022
1-(dimethylamino)-1,8-naphthyridine-2-thione
CID 139622625
N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide
CID 59618305
1-chloro-1,8-naphthyridin-2-one
CID 154368261
2,6-dichloro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 10591757
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide (CID 139622774) is 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide is O=C(Nn1c(=S)ccc2cccnc21)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide?
The InChIKey is KWIKHEGGMUPRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3OS/c16-10-4-1-5-11(17)13(10)15(21)19-20-12(22)7-6-9-3-2-8-18-14(9)20/h1-8H,(H,19,21).
What are the key properties of 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide?
2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide has a molecular weight of 350.23 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide is sourced from PubChem (CID 139622774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).