N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide

C18H11ClF2N2OS — CID 70694584

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Sc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C18H11ClF2N2OS/c19-17-8-4-13(10-22-17)23-18(24)11-1-7-16(15(21)9-11)25-14-5-2-12(20)3-6-14/h1-10H,(H,23,24)
InChIKeyRGODQEBGKZESJG-UHFFFAOYSA-N
MW376.82 g/mol
LogP5.42
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide (PubChem CID 70694584) has the molecular formula C18H11ClF2N2OS and a molecular weight of 376.82 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide
PubChem CID70694584
Molecular FormulaC18H11ClF2N2OS
Molecular Weight376.82 g/mol
Exact Mass376.02
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Sc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C18H11ClF2N2OS/c19-17-8-4-13(10-22-17)23-18(24)11-1-7-16(15(21)9-11)25-14-5-2-12(20)3-6-14/h1-10H,(H,23,24)
InChIKeyRGODQEBGKZESJG-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.42
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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide (CID 70694584) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(Sc2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide?
The InChIKey is RGODQEBGKZESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2OS/c19-17-8-4-13(10-22-17)23-18(24)11-1-7-16(15(21)9-11)25-14-5-2-12(20)3-6-14/h1-10H,(H,23,24).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide has a molecular weight of 376.82 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide is sourced from PubChem (CID 70694584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).