4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide

C16H13FN2O3S — CID 90553473

IUPAC4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide
SMILESNC(=O)c1ccc(C#CCNS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN2O3S/c17-14-4-1-5-15(11-14)23(21,22)19-10-2-3-12-6-8-13(9-7-12)16(18)20/h1,4-9,11,19H,10H2,(H2,18,20)
InChIKeyZAQPFXGAEFBSES-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.25
Rot. Bonds4

About 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide

4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide (PubChem CID 90553473) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide
PubChem CID90553473
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide
SMILESNC(=O)c1ccc(C#CCNS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H13FN2O3S/c17-14-4-1-5-15(11-14)23(21,22)19-10-2-3-12-6-8-13(9-7-12)16(18)20/h1,4-9,11,19H,10H2,(H2,18,20)
InChIKeyZAQPFXGAEFBSES-UHFFFAOYSA-N
XLogP1.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.25
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-chlorophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553487
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554249
4-[3-[(3,4-dimethylphenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553453
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554367
4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
CID 90552730
N-[3-(4-fluorophenyl)prop-2-ynyl]-3-nitrobenzenesulfonamide
CID 90552761
4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553480
4-[3-(cyclopropylsulfonylamino)prop-1-ynyl]benzamide
CID 90553482
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554485
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide?
The IUPAC name of 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide (CID 90553473) is 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide?
The canonical SMILES for 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide is NC(=O)c1ccc(C#CCNS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide?
The InChIKey is ZAQPFXGAEFBSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c17-14-4-1-5-15(11-14)23(21,22)19-10-2-3-12-6-8-13(9-7-12)16(18)20/h1,4-9,11,19H,10H2,(H2,18,20).
What are the key properties of 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide?
4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide has a molecular weight of 332.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide is sourced from PubChem (CID 90553473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).