3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C15H23ClF3N3O3S — CID 119991864

IUPAC3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl
InChIInChI=1S/C15H22F3N3O3S.ClH/c1-14(2,8-19)10-21(3)25(23,24)12-6-4-5-11(7-12)13(22)20-9-15(16,17)18;/h4-7H,8-10,19H2,1-3H3,(H,20,22);1H
InChIKeyXFNMPGOKJQRJSB-UHFFFAOYSA-N
MW417.88 g/mol
LogP2.01
Rot. Bonds7

About 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119991864) has the molecular formula C15H23ClF3N3O3S and a molecular weight of 417.88 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119991864
Molecular FormulaC15H23ClF3N3O3S
Molecular Weight417.88 g/mol
Exact Mass417.11
IUPAC Name3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl
InChIInChI=1S/C15H22F3N3O3S.ClH/c1-14(2,8-19)10-21(3)25(23,24)12-6-4-5-11(7-12)13(22)20-9-15(16,17)18;/h4-7H,8-10,19H2,1-3H3,(H,20,22);1H
InChIKeyXFNMPGOKJQRJSB-UHFFFAOYSA-N
XLogP2.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119983448
3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119987032
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119991586
3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]benzenecarbothioamide
CID 60890642
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119991864) is 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is XFNMPGOKJQRJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3S.ClH/c1-14(2,8-19)10-21(3)25(23,24)12-6-4-5-11(7-12)13(22)20-9-15(16,17)18;/h4-7H,8-10,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 417.88 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119991864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).