2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide

C9H8F4N2O3S — CID 141404711

IUPAC2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(C(F)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C9H8F4N2O3S/c10-7(15-8(16)9(11,12)13)5-2-1-3-6(4-5)19(14,17)18/h1-4,7H,(H,15,16)(H2,14,17,18)
InChIKeyAYCRQWIACCELAY-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.98
Rot. Bonds3

About 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide

2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide (PubChem CID 141404711) has the molecular formula C9H8F4N2O3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide
PubChem CID141404711
Molecular FormulaC9H8F4N2O3S
Molecular Weight300.23 g/mol
Exact Mass300.02
IUPAC Name2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1cccc(C(F)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C9H8F4N2O3S/c10-7(15-8(16)9(11,12)13)5-2-1-3-6(4-5)19(14,17)18/h1-4,7H,(H,15,16)(H2,14,17,18)
InChIKeyAYCRQWIACCELAY-UHFFFAOYSA-N
XLogP0.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-3-(3-sulfamoylphenyl)propanoic acid
CID 170824386
CID 70262336
CID 70262336
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3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
benzene-1,3-disulfonamide
CID 3090044
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
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CID 55396044
3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 175329442
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide (CID 141404711) is 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1cccc(C(F)NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is AYCRQWIACCELAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O3S/c10-7(15-8(16)9(11,12)13)5-2-1-3-6(4-5)19(14,17)18/h1-4,7H,(H,15,16)(H2,14,17,18).
What are the key properties of 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 300.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[fluoro-(3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 141404711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).