N-benzyl-3-fluoropyridine-2-sulfonamide

C12H11FN2O2S — CID 103299072

IUPACN-benzyl-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ncccc1F
InChIInChI=1S/C12H11FN2O2S/c13-11-7-4-8-14-12(11)18(16,17)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKeyHTROQAODWHJOAE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.70
Rot. Bonds4

About N-benzyl-3-fluoropyridine-2-sulfonamide

N-benzyl-3-fluoropyridine-2-sulfonamide (PubChem CID 103299072) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-benzyl-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-fluoropyridine-2-sulfonamide
PubChem CID103299072
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-benzyl-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ncccc1F
InChIInChI=1S/C12H11FN2O2S/c13-11-7-4-8-14-12(11)18(16,17)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKeyHTROQAODWHJOAE-UHFFFAOYSA-N
XLogP1.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 107233950
N-[[3-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 103308357
3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
CID 103300513
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide
CID 103299818
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-benzyl-3-fluoropyridine-2-sulfonamide (CID 103299072) is N-benzyl-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-benzyl-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-benzyl-3-fluoropyridine-2-sulfonamide is O=S(=O)(NCc1ccccc1)c1ncccc1F.
What is the InChIKey of N-benzyl-3-fluoropyridine-2-sulfonamide?
The InChIKey is HTROQAODWHJOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-11-7-4-8-14-12(11)18(16,17)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2.
What are the key properties of N-benzyl-3-fluoropyridine-2-sulfonamide?
N-benzyl-3-fluoropyridine-2-sulfonamide has a molecular weight of 266.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).