N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide

C11H10F3NO2S — CID 90538003

IUPACN-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide
SMILESC#CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2S/c1-2-3-8-15-18(16,17)10-6-4-9(5-7-10)11(12,13)14/h1,4-7,15H,3,8H2
InChIKeyREBKTEWSDBOPSR-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.01
Rot. Bonds4

About N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide

N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90538003) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90538003
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC NameN-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide
SMILESC#CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2S/c1-2-3-8-15-18(16,17)10-6-4-9(5-7-10)11(12,13)14/h1,4-7,15H,3,8H2
InChIKeyREBKTEWSDBOPSR-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
4-(2-cyanoethylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 34298929
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 11682252
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-prop-2-ynyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55586386
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide (CID 90538003) is N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide is C#CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is REBKTEWSDBOPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c1-2-3-8-15-18(16,17)10-6-4-9(5-7-10)11(12,13)14/h1,4-7,15H,3,8H2.
What are the key properties of N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide?
N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 277.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90538003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).