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

C17H15FN2O3S — CID 112981847

IUPAC4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccco2)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3S/c18-13-3-9-17(10-4-13)24(21,22)20-15-7-5-14(6-8-15)19-12-16-2-1-11-23-16/h1-11,19-20H,12H2
InChIKeyHHNAMTUXZCRESF-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.83
Rot. Bonds6

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

4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112981847) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112981847
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccco2)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3S/c18-13-3-9-17(10-4-13)24(21,22)20-15-7-5-14(6-8-15)19-12-16-2-1-11-23-16/h1-11,19-20H,12H2
InChIKeyHHNAMTUXZCRESF-UHFFFAOYSA-N
XLogP3.83
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 20971628
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 43427557
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113011417
4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982120
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide (CID 112981847) is 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCc2ccco2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is HHNAMTUXZCRESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-13-3-9-17(10-4-13)24(21,22)20-15-7-5-14(6-8-15)19-12-16-2-1-11-23-16/h1-11,19-20H,12H2.
What are the key properties of 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 346.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).