3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C12H13F3N2O3S — CID 106208285

IUPAC3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H13F3N2O3S/c1-21(19,20)9-5-7(4-8(16)6-9)10(18)17-11(2-3-11)12(13,14)15/h4-6H,2-3,16H2,1H3,(H,17,18)
InChIKeyWKRWMZHUEWEXJH-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106208285) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106208285
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC Name3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H13F3N2O3S/c1-21(19,20)9-5-7(4-8(16)6-9)10(18)17-11(2-3-11)12(13,14)15/h4-6H,2-3,16H2,1H3,(H,17,18)
InChIKeyWKRWMZHUEWEXJH-UHFFFAOYSA-N
XLogP1.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289195
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213462
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methylsulfonylbenzamide
CID 115454014
3-bromo-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213459
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208517
3-amino-5-methylsulfonyl-N-prop-2-ynylbenzamide
CID 55009391
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-methylsulfonylbenzamide
CID 55010113
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106208285) is 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is CS(=O)(=O)c1cc(N)cc(C(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is WKRWMZHUEWEXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c1-21(19,20)9-5-7(4-8(16)6-9)10(18)17-11(2-3-11)12(13,14)15/h4-6H,2-3,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 322.31 g/mol, XLogP of 1.50, 3 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-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106208285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).