N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride

C12H15Cl2F3N2O2S — CID 120582373

IUPACN-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c13-9-5-8(12(14,15)16)3-4-11(9)21(19,20)18-6-10(17)7-1-2-7;/h3-5,7,10,18H,1-2,6,17H2;1H
InChIKeyPFMIDPOHBHDOCD-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.80
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120582373) has the molecular formula C12H15Cl2F3N2O2S and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120582373
Molecular FormulaC12H15Cl2F3N2O2S
Molecular Weight379.23 g/mol
Exact Mass378.02
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c13-9-5-8(12(14,15)16)3-4-11(9)21(19,20)18-6-10(17)7-1-2-7;/h3-5,7,10,18H,1-2,6,17H2;1H
InChIKeyPFMIDPOHBHDOCD-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 120582930
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 120582330
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 171678637
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120582373) is N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.NC(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is PFMIDPOHBHDOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S.ClH/c13-9-5-8(12(14,15)16)3-4-11(9)21(19,20)18-6-10(17)7-1-2-7;/h3-5,7,10,18H,1-2,6,17H2;1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 379.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120582373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).