N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide

C12H14ClF3N2O2S — CID 120582330

IUPACN-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
SMILESNC(CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-9-3-1-2-8(12(14,15)16)11(9)21(19,20)18-6-10(17)7-4-5-7/h1-3,7,10,18H,4-6,17H2
InChIKeyLEKYPWQVLBGNOT-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.37
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 120582330) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
PubChem CID120582330
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
SMILESNC(CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-9-3-1-2-8(12(14,15)16)11(9)21(19,20)18-6-10(17)7-4-5-7/h1-3,7,10,18H,4-6,17H2
InChIKeyLEKYPWQVLBGNOT-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide
CID 120713301
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582373
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119975438
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 120582930
[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963733
N-(2-amino-2-cyclopropylethyl)-2,6-dichlorobenzamide
CID 113282152
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide (CID 120582330) is N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide is NC(CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LEKYPWQVLBGNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-9-3-1-2-8(12(14,15)16)11(9)21(19,20)18-6-10(17)7-4-5-7/h1-3,7,10,18H,4-6,17H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 342.77 g/mol, XLogP of 2.37, 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-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120582330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).