2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide

C17H13ClFN3O2S — CID 50845461

IUPAC2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccnc1Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClFN3O2S/c18-12-3-1-4-15(11-12)21-17-16(5-2-10-20-17)25(23,24)22-14-8-6-13(19)7-9-14/h1-11,22H,(H,20,21)
InChIKeyRNPZRHNCHRGKAJ-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.42
Rot. Bonds5

About 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide

2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide (PubChem CID 50845461) has the molecular formula C17H13ClFN3O2S and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
PubChem CID50845461
Molecular FormulaC17H13ClFN3O2S
Molecular Weight377.83 g/mol
Exact Mass377.04
IUPAC Name2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccnc1Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClFN3O2S/c18-12-3-1-4-15(11-12)21-17-16(5-2-10-20-17)25(23,24)22-14-8-6-13(19)7-9-14/h1-11,22H,(H,20,21)
InChIKeyRNPZRHNCHRGKAJ-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide (CID 50845461) is 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1cccnc1Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide?
The InChIKey is RNPZRHNCHRGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S/c18-12-3-1-4-15(11-12)21-17-16(5-2-10-20-17)25(23,24)22-14-8-6-13(19)7-9-14/h1-11,22H,(H,20,21).
What are the key properties of 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide?
2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide has a molecular weight of 377.83 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(4-fluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 50845461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).