2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide

C10H9F5N2O3S — CID 65388478

IUPAC2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NCCC(F)(F)F)c1F
InChIInChI=1S/C10H9F5N2O3S/c11-5-3-6(8(12)7(4-5)21(16,19)20)9(18)17-2-1-10(13,14)15/h3-4H,1-2H2,(H,17,18)(H2,16,19,20)
InChIKeyYQRAFHZONUDLDH-UHFFFAOYSA-N
MW332.25 g/mol
LogP1.29
Rot. Bonds4

About 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide

2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 65388478) has the molecular formula C10H9F5N2O3S and a molecular weight of 332.25 g/mol. Its IUPAC name is 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID65388478
Molecular FormulaC10H9F5N2O3S
Molecular Weight332.25 g/mol
Exact Mass332.03
IUPAC Name2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NCCC(F)(F)F)c1F
InChIInChI=1S/C10H9F5N2O3S/c11-5-3-6(8(12)7(4-5)21(16,19)20)9(18)17-2-1-10(13,14)15/h3-4H,1-2H2,(H,17,18)(H2,16,19,20)
InChIKeyYQRAFHZONUDLDH-UHFFFAOYSA-N
XLogP1.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398199
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 63228100
4-bromo-2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398773
2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 103709597
2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 63931433
5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
CID 65388620
N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
CID 65386252
N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide (CID 65388478) is 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide is NS(=O)(=O)c1cc(F)cc(C(=O)NCCC(F)(F)F)c1F.
What is the InChIKey of 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is YQRAFHZONUDLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O3S/c11-5-3-6(8(12)7(4-5)21(16,19)20)9(18)17-2-1-10(13,14)15/h3-4H,1-2H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 332.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 65388478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).