N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide

C15H17F2N3O2S — CID 113023261

IUPACN-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H17F2N3O2S/c1-2-3-8-23(21,22)20-12-5-7-15(18-10-12)19-11-4-6-13(16)14(17)9-11/h4-7,9-10,20H,2-3,8H2,1H3,(H,18,19)
InChIKeyNPGJSXWEHWETLA-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.65
Rot. Bonds7

About N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide

N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113023261) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
PubChem CID113023261
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC NameN-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H17F2N3O2S/c1-2-3-8-23(21,22)20-12-5-7-15(18-10-12)19-11-4-6-13(16)14(17)9-11/h4-7,9-10,20H,2-3,8H2,1H3,(H,18,19)
InChIKeyNPGJSXWEHWETLA-UHFFFAOYSA-N
XLogP3.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113023281
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide (CID 113023261) is N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is NPGJSXWEHWETLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-2-3-8-23(21,22)20-12-5-7-15(18-10-12)19-11-4-6-13(16)14(17)9-11/h4-7,9-10,20H,2-3,8H2,1H3,(H,18,19).
What are the key properties of N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide?
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113023261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).