2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride

C11H15ClO3S — CID 82303075

IUPAC2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCOc1ccccc1C(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-11(2,8-16(12,13)14)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3
InChIKeyFFOUMKFRTKUTMW-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride

2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride (PubChem CID 82303075) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride
PubChem CID82303075
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCOc1ccccc1C(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-11(2,8-16(12,13)14)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3
InChIKeyFFOUMKFRTKUTMW-UHFFFAOYSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylpentan-2-yl)-2-methoxybenzene
CID 64718135
2,2-dimethyl-3-[2-(trifluoromethyl)phenoxy]propane-1-sulfonyl chloride
CID 64999252
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676
2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
CID 65145061
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
CID 70298562
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride (CID 82303075) is 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride is COc1ccccc1C(C)(C)CS(=O)(=O)Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride?
The InChIKey is FFOUMKFRTKUTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-11(2,8-16(12,13)14)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride?
2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 82303075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).