N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

C17H15FN2O3S — CID 90554249

IUPACN-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O3S/c1-13(21)20-16-9-7-14(8-10-16)4-3-11-19-24(22,23)17-6-2-5-15(18)12-17/h2,5-10,12,19H,11H2,1H3,(H,20,21)
InChIKeyCWGNTIMFRISGSD-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.11
Rot. Bonds4

About N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (PubChem CID 90554249) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
PubChem CID90554249
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O3S/c1-13(21)20-16-9-7-14(8-10-16)4-3-11-19-24(22,23)17-6-2-5-15(18)12-17/h2,5-10,12,19H,11H2,1H3,(H,20,21)
InChIKeyCWGNTIMFRISGSD-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.11
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

4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553473
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554367
N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554254
N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554264
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087
4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
CID 90552730
N-[3-(4-fluorophenyl)prop-2-ynyl]-3-nitrobenzenesulfonamide
CID 90552761
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554485
N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554233
4-[3-[(3-chlorophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553487

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (CID 90554249) is N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is CC(=O)Nc1ccc(C#CCNS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The InChIKey is CWGNTIMFRISGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-13(21)20-16-9-7-14(8-10-16)4-3-11-19-24(22,23)17-6-2-5-15(18)12-17/h2,5-10,12,19H,11H2,1H3,(H,20,21).
What are the key properties of N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 90554249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).