N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide

C19H13ClF2N2O3S — CID 18378797

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C19H13ClF2N2O3S/c20-18-8-6-15(10-23-18)24-19(25)13-3-7-17(16(22)9-13)28(26,27)11-12-1-4-14(21)5-2-12/h1-10H,11H2,(H,24,25)
InChIKeyQQIXWILJAULXGO-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.24
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide (PubChem CID 18378797) has the molecular formula C19H13ClF2N2O3S and a molecular weight of 422.84 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
PubChem CID18378797
Molecular FormulaC19H13ClF2N2O3S
Molecular Weight422.84 g/mol
Exact Mass422.03
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C19H13ClF2N2O3S/c20-18-8-6-15(10-23-18)24-19(25)13-3-7-17(16(22)9-13)28(26,27)11-12-1-4-14(21)5-2-12/h1-10H,11H2,(H,24,25)
InChIKeyQQIXWILJAULXGO-UHFFFAOYSA-N
XLogP4.24
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.24
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)methylsulfonyl]benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide (CID 18378797) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)Cc2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide?
The InChIKey is QQIXWILJAULXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O3S/c20-18-8-6-15(10-23-18)24-19(25)13-3-7-17(16(22)9-13)28(26,27)11-12-1-4-14(21)5-2-12/h1-10H,11H2,(H,24,25).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide has a molecular weight of 422.84 g/mol, XLogP of 4.24, 5 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)methylsulfonyl]benzamide is sourced from PubChem (CID 18378797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).