2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide

C14H17FN2O3S — CID 71792747

IUPAC2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide
SMILESO=S(=O)(NCC#CCN1CCOCC1)c1ccccc1F
InChIInChI=1S/C14H17FN2O3S/c15-13-5-1-2-6-14(13)21(18,19)16-7-3-4-8-17-9-11-20-12-10-17/h1-2,5-6,16H,7-12H2
InChIKeyGDPSJXRRSHFWPC-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.44
Rot. Bonds4

About 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide

2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide (PubChem CID 71792747) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide
PubChem CID71792747
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide
SMILESO=S(=O)(NCC#CCN1CCOCC1)c1ccccc1F
InChIInChI=1S/C14H17FN2O3S/c15-13-5-1-2-6-14(13)21(18,19)16-7-3-4-8-17-9-11-20-12-10-17/h1-2,5-6,16H,7-12H2
InChIKeyGDPSJXRRSHFWPC-UHFFFAOYSA-N
XLogP0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide (CID 71792747) is 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide is O=S(=O)(NCC#CCN1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide?
The InChIKey is GDPSJXRRSHFWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-13-5-1-2-6-14(13)21(18,19)16-7-3-4-8-17-9-11-20-12-10-17/h1-2,5-6,16H,7-12H2.
What are the key properties of 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide?
2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-morpholin-4-ylbut-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 71792747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).