5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide

C12H15F3N2O3S — CID 175090793

IUPAC5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(F)(F)F)c(C(N)=O)c1
InChIInChI=1S/C12H15F3N2O3S/c1-11(2,3)21(19,20)17-7-4-5-9(12(13,14)15)8(6-7)10(16)18/h4-6,17H,1-3H3,(H2,16,18)
InChIKeyQHBVUXILPLOZAJ-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.34
Rot. Bonds3

About 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide

5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide (PubChem CID 175090793) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide
PubChem CID175090793
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(F)(F)F)c(C(N)=O)c1
InChIInChI=1S/C12H15F3N2O3S/c1-11(2,3)21(19,20)17-7-4-5-9(12(13,14)15)8(6-7)10(16)18/h4-6,17H,1-3H3,(H2,16,18)
InChIKeyQHBVUXILPLOZAJ-UHFFFAOYSA-N
XLogP2.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 5-(methanesulfonamido)-2-(trifluoromethyl)benzoate
CID 86720502
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
5-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzenecarbothioamide
CID 83016392
4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
CID 115302961
2-[4-(tert-butylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 77017156
2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide
CID 63689740
4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 65483976
4-(2-methylpropylsulfonylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 65483001
N-[4-chloro-3-(2-methylpropanoyl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 142910283
3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77017191
5-(4,4,4-trifluorobutylamino)-2-(trifluoromethyl)benzoic acid
CID 115522252

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide (CID 175090793) is 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(F)(F)F)c(C(N)=O)c1.
What is the InChIKey of 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide?
The InChIKey is QHBVUXILPLOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-11(2,3)21(19,20)17-7-4-5-9(12(13,14)15)8(6-7)10(16)18/h4-6,17H,1-3H3,(H2,16,18).
What are the key properties of 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide?
5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide has a molecular weight of 324.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 175090793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).