N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide

C10H9F2NO2S — CID 114419126

IUPACN-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2S/c1-3-7(2)13-16(14,15)8-4-5-9(11)10(12)6-8/h1,4-7,13H,2H3
InChIKeyOVXNSWZIWOTEDE-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.26
Rot. Bonds3

About N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide

N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide (PubChem CID 114419126) has the molecular formula C10H9F2NO2S and a molecular weight of 245.25 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
PubChem CID114419126
Molecular FormulaC10H9F2NO2S
Molecular Weight245.25 g/mol
Exact Mass245.03
IUPAC NameN-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2S/c1-3-7(2)13-16(14,15)8-4-5-9(11)10(12)6-8/h1,4-7,13H,2H3
InChIKeyOVXNSWZIWOTEDE-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.26
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

3,4-difluoro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898664
N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 101246920
3-amino-N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 114414720
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
CID 106357386
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427
N-(4-bromopentan-2-yl)-3,4-difluorobenzenesulfonamide
CID 113376804
2-amino-N-but-3-yn-2-yl-4-chlorobenzenesulfonamide
CID 114414759
3-chloro-N-[(1R)-1-cyanoethyl]-4-fluorobenzenesulfonamide
CID 97061579
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 114418208

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide (CID 114419126) is N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide is C#CC(C)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide?
The InChIKey is OVXNSWZIWOTEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2S/c1-3-7(2)13-16(14,15)8-4-5-9(11)10(12)6-8/h1,4-7,13H,2H3.
What are the key properties of N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide?
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide has a molecular weight of 245.25 g/mol, XLogP of 1.26, 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-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 114419126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).