N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide

C11H9FN2O2S — CID 107258270

IUPACN-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
SMILESCC#CCNS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C11H9FN2O2S/c1-2-3-7-14-17(15,16)11-6-4-5-10(12)9(11)8-13/h4-6,14H,7H2,1H3
InChIKeyLKRWAMCURXFLRT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.00
Rot. Bonds3

About N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide

N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide (PubChem CID 107258270) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
PubChem CID107258270
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC NameN-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
SMILESCC#CCNS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C11H9FN2O2S/c1-2-3-7-14-17(15,16)11-6-4-5-10(12)9(11)8-13/h4-6,14H,7H2,1H3
InChIKeyLKRWAMCURXFLRT-UHFFFAOYSA-N
XLogP1.00
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
CID 115753532
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
2-cyano-3-fluoro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486680
2-cyano-3-fluoro-N-hex-5-ynylbenzenesulfonamide
CID 103837000
2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399135
4-[(2-cyano-3-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540372
5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
CID 103916474
2-cyano-3-fluoro-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 103833423
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 83016497

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide?
The IUPAC name of N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide (CID 107258270) is N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide?
The canonical SMILES for N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide is CC#CCNS(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide?
The InChIKey is LKRWAMCURXFLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-2-3-7-14-17(15,16)11-6-4-5-10(12)9(11)8-13/h4-6,14H,7H2,1H3.
What are the key properties of N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide?
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide has a molecular weight of 252.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107258270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).