N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride

C12H18Cl2N2O2S — CID 119986671

IUPACN-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H17ClN2O2S.ClH/c13-11-4-2-1-3-10(11)8-18(16,17)15-12(7-14)9-5-6-9;/h1-4,9,12,15H,5-8,14H2;1H
InChIKeyOELVULBBTPOPDW-UHFFFAOYSA-N
MW325.26 g/mol
LogP1.92
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride (PubChem CID 119986671) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
PubChem CID119986671
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H17ClN2O2S.ClH/c13-11-4-2-1-3-10(11)8-18(16,17)15-12(7-14)9-5-6-9;/h1-4,9,12,15H,5-8,14H2;1H
InChIKeyOELVULBBTPOPDW-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
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N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine
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N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
1-N-(2-amino-1-cyclopropylethyl)-2-N,2-N-dimethylbenzene-1,2-disulfonamide;hydrochloride
CID 120711256
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride (CID 119986671) is N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)Cc1ccccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is OELVULBBTPOPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c13-11-4-2-1-3-10(11)8-18(16,17)15-12(7-14)9-5-6-9;/h1-4,9,12,15H,5-8,14H2;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 1.92, 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-chlorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119986671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).