2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

C16H13FN2O2S2 — CID 91630702

IUPAC2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cncc(-c2cccs2)c1)c1ccccc1F
InChIInChI=1S/C16H13FN2O2S2/c17-14-4-1-2-6-16(14)23(20,21)19-10-12-8-13(11-18-9-12)15-5-3-7-22-15/h1-9,11,19H,10H2
InChIKeyDFIAOPIJMQUSMP-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.43
Rot. Bonds5

About 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91630702) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID91630702
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC Name2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cncc(-c2cccs2)c1)c1ccccc1F
InChIInChI=1S/C16H13FN2O2S2/c17-14-4-1-2-6-16(14)23(20,21)19-10-12-8-13(11-18-9-12)15-5-3-7-22-15/h1-9,11,19H,10H2
InChIKeyDFIAOPIJMQUSMP-UHFFFAOYSA-N
XLogP3.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 91630702) is 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cncc(-c2cccs2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is DFIAOPIJMQUSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c17-14-4-1-2-6-16(14)23(20,21)19-10-12-8-13(11-18-9-12)15-5-3-7-22-15/h1-9,11,19H,10H2.
What are the key properties of 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91630702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).