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

C14H22ClNO2S — CID 106714731

IUPAC6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-14(2,11-16)9-5-6-10-19(17,18)13-8-4-3-7-12(13)15/h3-4,7-8H,5-6,9-11,16H2,1-2H3
InChIKeyVLSRNGXFNBYXAY-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.27
Rot. Bonds7

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

6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine (PubChem CID 106714731) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
PubChem CID106714731
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-14(2,11-16)9-5-6-10-19(17,18)13-8-4-3-7-12(13)15/h3-4,7-8H,5-6,9-11,16H2,1-2H3
InChIKeyVLSRNGXFNBYXAY-UHFFFAOYSA-N
XLogP3.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714756
4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
CID 139004687
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748
2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
CID 106714769
6-(2-chlorophenyl)sulfonylhexan-3-one
CID 106807675
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
methyl 4-(2-chlorophenyl)sulfonylbutanoate
CID 43378385
1-(3-azidopropylsulfonyl)-2-chlorobenzene
CID 55138385
5-(2,6-dichlorophenyl)sulfinyl-2,2-dimethylpentan-1-amine
CID 115477764
2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine
CID 62621254
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858
2-(2-chlorophenyl)sulfonylethyl formate
CID 19697051

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine (CID 106714731) is 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine is CC(C)(CN)CCCCS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The InChIKey is VLSRNGXFNBYXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-14(2,11-16)9-5-6-10-19(17,18)13-8-4-3-7-12(13)15/h3-4,7-8H,5-6,9-11,16H2,1-2H3.
What are the key properties of 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine has a molecular weight of 303.85 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106714731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).