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

C14H19ClF3N3O3S — CID 119987032

IUPAC3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3N3O3S.ClH/c15-14(16,17)8-19-13(21)10-2-1-3-11(6-10)24(22,23)20-12(7-18)9-4-5-9;/h1-3,6,9,12,20H,4-5,7-8,18H2,(H,19,21);1H
InChIKeyCEIIKZNTMIHHCX-UHFFFAOYSA-N
MW401.84 g/mol
LogP1.42
Rot. Bonds7

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

3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119987032) has the molecular formula C14H19ClF3N3O3S and a molecular weight of 401.84 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119987032
Molecular FormulaC14H19ClF3N3O3S
Molecular Weight401.84 g/mol
Exact Mass401.08
IUPAC Name3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3N3O3S.ClH/c15-14(16,17)8-19-13(21)10-2-1-3-11(6-10)24(22,23)20-12(7-18)9-4-5-9;/h1-3,6,9,12,20H,4-5,7-8,18H2,(H,19,21);1H
InChIKeyCEIIKZNTMIHHCX-UHFFFAOYSA-N
XLogP1.42
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119983448
3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 120582622
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
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119991864
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119612677
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 119612678
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119987032) is 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CC1.
What is the InChIKey of 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is CEIIKZNTMIHHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S.ClH/c15-14(16,17)8-19-13(21)10-2-1-3-11(6-10)24(22,23)20-12(7-18)9-4-5-9;/h1-3,6,9,12,20H,4-5,7-8,18H2,(H,19,21);1H.
What are the key properties of 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 401.84 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119987032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).