N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide

C12H16Cl2N2O2S — CID 119986929

IUPACN-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
SMILESNCC(NS(=O)(=O)Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C12H16Cl2N2O2S/c13-10-2-1-3-11(14)9(10)7-19(17,18)16-12(6-15)8-4-5-8/h1-3,8,12,16H,4-7,15H2
InChIKeyOTGHSTOZHOFKOR-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.15
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide

N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide (PubChem CID 119986929) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
PubChem CID119986929
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
SMILESNCC(NS(=O)(=O)Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C12H16Cl2N2O2S/c13-10-2-1-3-11(14)9(10)7-19(17,18)16-12(6-15)8-4-5-8/h1-3,8,12,16H,4-7,15H2
InChIKeyOTGHSTOZHOFKOR-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 119986671
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 65188663
N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120585032
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119986380
N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
CID 100627668
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 120583362
N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780581

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide (CID 119986929) is N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide is NCC(NS(=O)(=O)Cc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The InChIKey is OTGHSTOZHOFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c13-10-2-1-3-11(14)9(10)7-19(17,18)16-12(6-15)8-4-5-8/h1-3,8,12,16H,4-7,15H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide?
N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 119986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).