N-but-3-yn-2-yl-2-fluorobenzenesulfonamide

C10H10FNO2S — CID 114416427

IUPACN-but-3-yn-2-yl-2-fluorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H10FNO2S/c1-3-8(2)12-15(13,14)10-7-5-4-6-9(10)11/h1,4-8,12H,2H3
InChIKeyHYCPKKFPGNZMQI-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.13
Rot. Bonds3

About N-but-3-yn-2-yl-2-fluorobenzenesulfonamide

N-but-3-yn-2-yl-2-fluorobenzenesulfonamide (PubChem CID 114416427) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-fluorobenzenesulfonamide
PubChem CID114416427
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC NameN-but-3-yn-2-yl-2-fluorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H10FNO2S/c1-3-8(2)12-15(13,14)10-7-5-4-6-9(10)11/h1,4-8,12H,2H3
InChIKeyHYCPKKFPGNZMQI-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
N-[(1S,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97326001
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97325999
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
N-but-3-yn-2-yl-4-fluoro-2-methyl-5-nitrobenzenesulfonamide
CID 114416454
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-fluorobenzenesulfonamide?
The IUPAC name of N-but-3-yn-2-yl-2-fluorobenzenesulfonamide (CID 114416427) is N-but-3-yn-2-yl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-2-fluorobenzenesulfonamide is C#CC(C)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-but-3-yn-2-yl-2-fluorobenzenesulfonamide?
The InChIKey is HYCPKKFPGNZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c1-3-8(2)12-15(13,14)10-7-5-4-6-9(10)11/h1,4-8,12H,2H3.
What are the key properties of N-but-3-yn-2-yl-2-fluorobenzenesulfonamide?
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide has a molecular weight of 227.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114416427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).