3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

C11H12F4N2O3S — CID 106289195

IUPAC3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)NCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H12F4N2O3S/c1-21(19,20)8-3-6(2-7(16)4-8)9(18)17-5-11(14,15)10(12)13/h2-4,10H,5,16H2,1H3,(H,17,18)
InChIKeyCPFXGJGFTMSFLW-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106289195) has the molecular formula C11H12F4N2O3S and a molecular weight of 328.29 g/mol. Its IUPAC name is 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106289195
Molecular FormulaC11H12F4N2O3S
Molecular Weight328.29 g/mol
Exact Mass328.05
IUPAC Name3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)NCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H12F4N2O3S/c1-21(19,20)8-3-6(2-7(16)4-8)9(18)17-5-11(14,15)10(12)13/h2-4,10H,5,16H2,1H3,(H,17,18)
InChIKeyCPFXGJGFTMSFLW-UHFFFAOYSA-N
XLogP1.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methylsulfonyl-N-prop-2-ynylbenzamide
CID 55009391
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285
3-amino-N-(4-hydroxypentyl)-5-methylsulfonylbenzamide
CID 106118882
3-amino-N-(2-methylsulfanylethyl)-5-methylsulfonylbenzamide
CID 63983246
3-bromo-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106292523
2-amino-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 114169847
2-amino-6-propyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295513
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methylsulfonylbenzamide
CID 115454014
2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295561
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-methylsulfonylbenzamide
CID 55010113
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfonylbenzamide
CID 114464857
3-amino-N-hex-1-yn-3-yl-5-methylsulfonylbenzamide
CID 106223517

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106289195) is 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is CS(=O)(=O)c1cc(N)cc(C(=O)NCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is CPFXGJGFTMSFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O3S/c1-21(19,20)8-3-6(2-7(16)4-8)9(18)17-5-11(14,15)10(12)13/h2-4,10H,5,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 328.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106289195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).