2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide

C10H15ClN2O2S — CID 82359794

IUPAC2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(N)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)16(14,15)7-10(12)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3
InChIKeyRAUJVAWSLSNFLU-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide

2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide (PubChem CID 82359794) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide
PubChem CID82359794
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(N)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)16(14,15)7-10(12)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3
InChIKeyRAUJVAWSLSNFLU-UHFFFAOYSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122150
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(+,-) Cis-propane-2-sulfonic Acid (2-p-chlorophenyl-cyclopentyl)-amide
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2-[(3-Chlorophenyl)methylazaniumyl]ethanesulfonate
CID 72200945
(R)-Saclofen
CID 6604706
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 11496252
1-(4-Chlorophenyl)-N-[2-(Diethylamino)ethyl]methanesulfonamide
CID 71677773
2-Amino-2-(4-chlorophenyl)ethanesulfonic acid
CID 124575
N-(1-phenylethyl)ethanesulfonamide
CID 2932389
N-(4-Chlorobenzyl)-N-methylsulfamide
CID 4410045
2-[(4-Chlorobenzyl)amino]ethanesulfonic Acid
CID 18439261

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide (CID 82359794) is 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CC(N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide?
The InChIKey is RAUJVAWSLSNFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-13(2)16(14,15)7-10(12)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3.
What are the key properties of 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide?
2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 82359794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).