2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide

C16H13FN2O3S — CID 91630514

IUPAC2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccccc1F
InChIInChI=1S/C16H13FN2O3S/c17-13-4-1-2-6-16(13)23(20,21)19-11-12-7-8-18-14(10-12)15-5-3-9-22-15/h1-10,19H,11H2
InChIKeySQMJNCYRFYJHBV-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.96
Rot. Bonds5

About 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide

2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide (PubChem CID 91630514) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide
PubChem CID91630514
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccccc1F
InChIInChI=1S/C16H13FN2O3S/c17-13-4-1-2-6-16(13)23(20,21)19-11-12-7-8-18-14(10-12)15-5-3-9-22-15/h1-10,19H,11H2
InChIKeySQMJNCYRFYJHBV-UHFFFAOYSA-N
XLogP2.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 91630513
5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 91630517
2-fluoro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 60539439
2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
2,4-difluoro-N-[2-[[4-(furan-2-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 11632320
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
2,5-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166003
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 117055113
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 91625714

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide (CID 91630514) is 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is SQMJNCYRFYJHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c17-13-4-1-2-6-16(13)23(20,21)19-11-12-7-8-18-14(10-12)15-5-3-9-22-15/h1-10,19H,11H2.
What are the key properties of 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide?
2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 91630514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).