N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine

C12H17Cl2NO2S — CID 64675930

IUPACN-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-12(2,3)15-7-8-18(16,17)11-9(13)5-4-6-10(11)14/h4-6,15H,7-8H2,1-3H3
InChIKeyOPZITTXDILZXGS-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine

N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine (PubChem CID 64675930) has the molecular formula C12H17Cl2NO2S and a molecular weight of 310.25 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine
PubChem CID64675930
Molecular FormulaC12H17Cl2NO2S
Molecular Weight310.25 g/mol
Exact Mass309.04
IUPAC NameN-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-12(2,3)15-7-8-18(16,17)11-9(13)5-4-6-10(11)14/h4-6,15H,7-8H2,1-3H3
InChIKeyOPZITTXDILZXGS-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-bromophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64675828
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64644839
6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714756
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64646246
N-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]-2-methylpropan-2-amine
CID 114792066
5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64676520
2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine
CID 58817611
CID 87664678
CID 87664678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine (CID 64675930) is N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine is CC(C)(C)NCCS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
The InChIKey is OPZITTXDILZXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S/c1-12(2,3)15-7-8-18(16,17)11-9(13)5-4-6-10(11)14/h4-6,15H,7-8H2,1-3H3.
What are the key properties of N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine?
N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine has a molecular weight of 310.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64675930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).