3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C13H19ClF3N3O3S — CID 119988475

IUPAC3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3N3O3S.ClH/c1-12(2,17)7-19-23(21,22)10-5-3-4-9(6-10)11(20)18-8-13(14,15)16;/h3-6,19H,7-8,17H2,1-2H3,(H,18,20);1H
InChIKeyPQRFKIVMABIYSB-UHFFFAOYSA-N
MW389.83 g/mol
LogP1.42
Rot. Bonds6

About 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119988475) has the molecular formula C13H19ClF3N3O3S and a molecular weight of 389.83 g/mol. Its IUPAC name is 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119988475
Molecular FormulaC13H19ClF3N3O3S
Molecular Weight389.83 g/mol
Exact Mass389.08
IUPAC Name3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3N3O3S.ClH/c1-12(2,17)7-19-23(21,22)10-5-3-4-9(6-10)11(20)18-8-13(14,15)16;/h3-6,19H,7-8,17H2,1-2H3,(H,18,20);1H
InChIKeyPQRFKIVMABIYSB-UHFFFAOYSA-N
XLogP1.42
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 120582622
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
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119991864
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17450702
3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119988475) is 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is CC(C)(N)CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl.
What is the InChIKey of 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is PQRFKIVMABIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O3S.ClH/c1-12(2,17)7-19-23(21,22)10-5-3-4-9(6-10)11(20)18-8-13(14,15)16;/h3-6,19H,7-8,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 389.83 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119988475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).