4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide

C16H14FN3O3S — CID 113026312

IUPAC4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccco2)cn1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O3S/c17-12-3-6-15(7-4-12)24(21,22)20-16-8-5-13(10-19-16)18-11-14-2-1-9-23-14/h1-10,18H,11H2,(H,19,20)
InChIKeyPZYHNSLQBOYDCZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.23
Rot. Bonds6

About 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide

4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113026312) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113026312
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccco2)cn1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O3S/c17-12-3-6-15(7-4-12)24(21,22)20-16-8-5-13(10-19-16)18-11-14-2-1-9-23-14/h1-10,18H,11H2,(H,19,20)
InChIKeyPZYHNSLQBOYDCZ-UHFFFAOYSA-N
XLogP3.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113011417
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113026308
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
CID 113011375
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 20971628
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide (CID 113026312) is 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCc2ccco2)cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is PZYHNSLQBOYDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c17-12-3-6-15(7-4-12)24(21,22)20-16-8-5-13(10-19-16)18-11-14-2-1-9-23-14/h1-10,18H,11H2,(H,19,20).
What are the key properties of 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113026312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).