6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine

C14H21Cl2NO2S — CID 106714756

IUPAC6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO2S/c1-14(2,10-17)8-3-4-9-20(18,19)13-11(15)6-5-7-12(13)16/h5-7H,3-4,8-10,17H2,1-2H3
InChIKeyXIOOSISNAIBDQY-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.92
Rot. Bonds7

About 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine

6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine (PubChem CID 106714756) has the molecular formula C14H21Cl2NO2S and a molecular weight of 338.30 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
PubChem CID106714756
Molecular FormulaC14H21Cl2NO2S
Molecular Weight338.30 g/mol
Exact Mass337.07
IUPAC Name6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO2S/c1-14(2,10-17)8-3-4-9-20(18,19)13-11(15)6-5-7-12(13)16/h5-7H,3-4,8-10,17H2,1-2H3
InChIKeyXIOOSISNAIBDQY-UHFFFAOYSA-N
XLogP3.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-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

6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714731
2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
CID 106714769
N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64675930
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748
5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64676520
2-(benzenesulfonyl)ethanamine;2-(2,6-dichlorophenyl)sulfonylethanamine
CID 158169655
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine
CID 65263400
4-(3-bromophenyl)sulfonyl-2,2-dimethylbutan-1-amine
CID 65256667
4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
CID 81182283

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine (CID 106714756) is 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine is CC(C)(CN)CCCCS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The InChIKey is XIOOSISNAIBDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2S/c1-14(2,10-17)8-3-4-9-20(18,19)13-11(15)6-5-7-12(13)16/h5-7H,3-4,8-10,17H2,1-2H3.
What are the key properties of 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine has a molecular weight of 338.30 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106714756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).