2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

C10H9F5N2O3S — CID 103528381

IUPAC2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9F5N2O3S/c11-7-2-1-5(21(16,19)20)3-6(7)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,17,18)(H2,16,19,20)
InChIKeyOEXFLLRFCFVRJO-UHFFFAOYSA-N
MW332.25 g/mol
LogP1.10
Rot. Bonds5

About 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 103528381) has the molecular formula C10H9F5N2O3S and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID103528381
Molecular FormulaC10H9F5N2O3S
Molecular Weight332.25 g/mol
Exact Mass332.03
IUPAC Name2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9F5N2O3S/c11-7-2-1-5(21(16,19)20)3-6(7)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,17,18)(H2,16,19,20)
InChIKeyOEXFLLRFCFVRJO-UHFFFAOYSA-N
XLogP1.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295376
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267
2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 103528381) is 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is NS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)C(F)F)c1.
What is the InChIKey of 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is OEXFLLRFCFVRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O3S/c11-7-2-1-5(21(16,19)20)3-6(7)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 332.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 103528381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).