3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C15H23ClF3N3O3S — CID 119983448

IUPAC3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl
InChIInChI=1S/C15H22F3N3O3S.ClH/c1-10(2)6-12(8-19)21-25(23,24)13-5-3-4-11(7-13)14(22)20-9-15(16,17)18;/h3-5,7,10,12,21H,6,8-9,19H2,1-2H3,(H,20,22);1H
InChIKeyFJNTYZFCLDQOBQ-UHFFFAOYSA-N
MW417.88 g/mol
LogP2.05
Rot. Bonds8

About 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119983448) has the molecular formula C15H23ClF3N3O3S and a molecular weight of 417.88 g/mol. Its IUPAC name is 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119983448
Molecular FormulaC15H23ClF3N3O3S
Molecular Weight417.88 g/mol
Exact Mass417.11
IUPAC Name3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl
InChIInChI=1S/C15H22F3N3O3S.ClH/c1-10(2)6-12(8-19)21-25(23,24)13-5-3-4-11(7-13)14(22)20-9-15(16,17)18;/h3-5,7,10,12,21H,6,8-9,19H2,1-2H3,(H,20,22);1H
InChIKeyFJNTYZFCLDQOBQ-UHFFFAOYSA-N
XLogP2.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride with MolForge

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Related Compounds

3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119987032
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119983345
3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119991864
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 120582622
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119983448) is 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.Cl.
What is the InChIKey of 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is FJNTYZFCLDQOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3S.ClH/c1-10(2)6-12(8-19)21-25(23,24)13-5-3-4-11(7-13)14(22)20-9-15(16,17)18;/h3-5,7,10,12,21H,6,8-9,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 417.88 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119983448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).