3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride

C15H16BrClO3S — CID 64999806

IUPAC3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(COc1ccc2cc(Br)ccc2c1)CS(=O)(=O)Cl
InChIInChI=1S/C15H16BrClO3S/c1-15(2,10-21(17,18)19)9-20-14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8H,9-10H2,1-2H3
InChIKeyMXKVTVGAWWKNBK-UHFFFAOYSA-N
MW391.71 g/mol
LogP4.58
Rot. Bonds5

About 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride

3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride (PubChem CID 64999806) has the molecular formula C15H16BrClO3S and a molecular weight of 391.71 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
PubChem CID64999806
Molecular FormulaC15H16BrClO3S
Molecular Weight391.71 g/mol
Exact Mass389.97
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(COc1ccc2cc(Br)ccc2c1)CS(=O)(=O)Cl
InChIInChI=1S/C15H16BrClO3S/c1-15(2,10-21(17,18)19)9-20-14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8H,9-10H2,1-2H3
InChIKeyMXKVTVGAWWKNBK-UHFFFAOYSA-N
XLogP4.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.71
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-fluorophenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 83233942
3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79628620
3-(3,5-dimethylphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999349
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid
CID 79622347
2,2-dimethyl-3-(3-propan-2-ylphenoxy)propane-1-sulfonyl chloride
CID 64999649
3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
CID 64999626
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
2-bromo-7-ethoxynaphthalene
CID 22240149
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride
CID 116866437
2-[(2,4-dibromophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 65003988

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride (CID 64999806) is 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride is CC(C)(COc1ccc2cc(Br)ccc2c1)CS(=O)(=O)Cl.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride?
The InChIKey is MXKVTVGAWWKNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClO3S/c1-15(2,10-21(17,18)19)9-20-14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride?
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride has a molecular weight of 391.71 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride is sourced from PubChem (CID 64999806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).