2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride

C13H11FN2O3S — CID 116814254

IUPAC2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride
SMILESO=C(Cc1cccnc1)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C13H11FN2O3S/c14-20(18,19)12-6-2-1-5-11(12)16-13(17)8-10-4-3-7-15-9-10/h1-7,9H,8H2,(H,16,17)
InChIKeyYMRSRCRXJJGUAH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.92
Rot. Bonds4

About 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride

2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride (PubChem CID 116814254) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride
PubChem CID116814254
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride
SMILESO=C(Cc1cccnc1)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C13H11FN2O3S/c14-20(18,19)12-6-2-1-5-11(12)16-13(17)8-10-4-3-7-15-9-10/h1-7,9H,8H2,(H,16,17)
InChIKeyYMRSRCRXJJGUAH-UHFFFAOYSA-N
XLogP1.92
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride
CID 116814199
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide
CID 90626409
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62689712
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62691044
CID 66868100
CID 66868100
dimethyl 2-[(2-pyridin-3-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 110697209
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide
CID 71978991
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride (CID 116814254) is 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride is O=C(Cc1cccnc1)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride?
The InChIKey is YMRSRCRXJJGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-20(18,19)12-6-2-1-5-11(12)16-13(17)8-10-4-3-7-15-9-10/h1-7,9H,8H2,(H,16,17).
What are the key properties of 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride?
2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride has a molecular weight of 294.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).