4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide

C18H11Cl2FN2O2S — CID 10158398

IUPAC4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C18H11Cl2FN2O2S/c19-13-3-1-2-4-15(13)26(25)16-7-5-11(9-14(16)21)18(24)23-12-6-8-17(20)22-10-12/h1-10H,(H,23,24)
InChIKeyKBESCCFUPBZNSO-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.95
Rot. Bonds4

About 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide

4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide (PubChem CID 10158398) has the molecular formula C18H11Cl2FN2O2S and a molecular weight of 409.27 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
PubChem CID10158398
Molecular FormulaC18H11Cl2FN2O2S
Molecular Weight409.27 g/mol
Exact Mass407.99
IUPAC Name4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C18H11Cl2FN2O2S/c19-13-3-1-2-4-15(13)26(25)16-7-5-11(9-14(16)21)18(24)23-12-6-8-17(20)22-10-12/h1-10H,(H,23,24)
InChIKeyKBESCCFUPBZNSO-UHFFFAOYSA-N
XLogP4.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
CID 10199933
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(pyrazin-2-ylmethylsulfanyl)benzamide
CID 18378790
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
The IUPAC name of 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide (CID 10158398) is 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
The InChIKey is KBESCCFUPBZNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FN2O2S/c19-13-3-1-2-4-15(13)26(25)16-7-5-11(9-14(16)21)18(24)23-12-6-8-17(20)22-10-12/h1-10H,(H,23,24).
What are the key properties of 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide has a molecular weight of 409.27 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 10158398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).