N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide

C12H14ClF3N2O2S — CID 115301403

IUPACN-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-4-3-8(5-9(10)12(14,15)16)21(19,20)18-6-11(17)7-1-2-7/h3-5,7,11,18H,1-2,6,17H2
InChIKeyJDECVPZVOAWOLC-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.37
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 115301403) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID115301403
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-4-3-8(5-9(10)12(14,15)16)21(19,20)18-6-11(17)7-1-2-7/h3-5,7,11,18H,1-2,6,17H2
InChIKeyJDECVPZVOAWOLC-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-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 120582330
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582373
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 115301403) is N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is NC(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JDECVPZVOAWOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-10-4-3-8(5-9(10)12(14,15)16)21(19,20)18-6-11(17)7-1-2-7/h3-5,7,11,18H,1-2,6,17H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(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)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 115301403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).