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

C18H11ClF2N2O3S — CID 70692536

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C18H11ClF2N2O3S/c19-17-8-4-13(10-22-17)23-18(24)11-1-7-16(15(21)9-11)27(25,26)14-5-2-12(20)3-6-14/h1-10H,(H,23,24)
InChIKeyCBMJPJNHXKDIOW-UHFFFAOYSA-N
MW408.81 g/mol
LogP4.10
Rot. Bonds4

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

N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide (PubChem CID 70692536) has the molecular formula C18H11ClF2N2O3S and a molecular weight of 408.81 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide
PubChem CID70692536
Molecular FormulaC18H11ClF2N2O3S
Molecular Weight408.81 g/mol
Exact Mass408.01
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C18H11ClF2N2O3S/c19-17-8-4-13(10-22-17)23-18(24)11-1-7-16(15(21)9-11)27(25,26)14-5-2-12(20)3-6-14/h1-10H,(H,23,24)
InChIKeyCBMJPJNHXKDIOW-UHFFFAOYSA-N
XLogP4.10
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)sulfonylbenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide (CID 70692536) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)c2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide?
The InChIKey is CBMJPJNHXKDIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O3S/c19-17-8-4-13(10-22-17)23-18(24)11-1-7-16(15(21)9-11)27(25,26)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)sulfonylbenzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide has a molecular weight of 408.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide is sourced from PubChem (CID 70692536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).