2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide

C17H14F2N2O3S — CID 90553735

IUPAC2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O3S/c1-20-17(22)16-7-3-2-5-12(16)6-4-8-21-25(23,24)15-10-13(18)9-14(19)11-15/h2-3,5,7,9-11,21H,8H2,1H3,(H,20,22)
InChIKeyZEDWTKVPFSVGNG-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.65
Rot. Bonds4

About 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide

2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide (PubChem CID 90553735) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
PubChem CID90553735
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O3S/c1-20-17(22)16-7-3-2-5-12(16)6-4-8-21-25(23,24)15-10-13(18)9-14(19)11-15/h2-3,5,7,9-11,21H,8H2,1H3,(H,20,22)
InChIKeyZEDWTKVPFSVGNG-UHFFFAOYSA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(5-fluoro-2-methoxyphenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553698
3,5-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzenesulfonamide
CID 90553263
3,5-difluoro-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553921
N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide
CID 90553669
2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550373
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
3-(4-fluorophenyl)-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90550231
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554485
N-[3-(2-fluorophenyl)prop-2-ynyl]naphthalene-2-sulfonamide
CID 90552625
4-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550468
4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553473
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554249

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide?
The IUPAC name of 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide (CID 90553735) is 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide.
What is the SMILES notation for 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide?
The canonical SMILES for 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide is CNC(=O)c1ccccc1C#CCNS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide?
The InChIKey is ZEDWTKVPFSVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-20-17(22)16-7-3-2-5-12(16)6-4-8-21-25(23,24)15-10-13(18)9-14(19)11-15/h2-3,5,7,9-11,21H,8H2,1H3,(H,20,22).
What are the key properties of 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide?
2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide has a molecular weight of 364.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide is sourced from PubChem (CID 90553735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).