methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride

C31H35Cl5O13S5 — CID 173174525

IUPACmethanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1.COc1cccc(S(=O)(=O)Cl)c1.COc1ccccc1S(=O)(=O)Cl.CS(=O)(=O)Cl.Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIInChI=1S/C9H11ClO2S.3C7H7ClO3S.CH3ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-11-6-2-4-7(5-3-6)12(8,9)10;1-11-6-3-2-4-7(5-6)12(8,9)10;1-11-6-4-2-3-5-7(6)12(8,9)10;1-5(2,3)4/h4-5H,1-3H3;3*2-5H,1H3;1H3
InChIKeyUSDRTQFYUZIIEF-UHFFFAOYSA-N
MW953.21 g/mol
LogP7.59
Rot. Bonds7

About methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride

methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride (PubChem CID 173174525) has the molecular formula C31H35Cl5O13S5 and a molecular weight of 953.21 g/mol. Its IUPAC name is methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Namemethanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride
PubChem CID173174525
Molecular FormulaC31H35Cl5O13S5
Molecular Weight953.21 g/mol
Exact Mass949.91
IUPAC Namemethanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1.COc1cccc(S(=O)(=O)Cl)c1.COc1ccccc1S(=O)(=O)Cl.CS(=O)(=O)Cl.Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIInChI=1S/C9H11ClO2S.3C7H7ClO3S.CH3ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-11-6-2-4-7(5-3-6)12(8,9)10;1-11-6-3-2-4-7(5-6)12(8,9)10;1-11-6-4-2-3-5-7(6)12(8,9)10;1-5(2,3)4/h4-5H,1-3H3;3*2-5H,1H3;1H3
InChIKeyUSDRTQFYUZIIEF-UHFFFAOYSA-N
XLogP7.59
TPSA198.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.21
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
3-(4-methoxyphenyl)benzenesulfonyl chloride
CID 4988737
anisole;methanesulfonyl chloride
CID 162217178
3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride
CID 82308085
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)
CID 159182212
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790

Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride?
The IUPAC name of methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride (CID 173174525) is methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride.
What is the SMILES notation for methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride?
The canonical SMILES for methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1.COc1cccc(S(=O)(=O)Cl)c1.COc1ccccc1S(=O)(=O)Cl.CS(=O)(=O)Cl.Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1.
What is the InChIKey of methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride?
The InChIKey is USDRTQFYUZIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S.3C7H7ClO3S.CH3ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-11-6-2-4-7(5-3-6)12(8,9)10;1-11-6-3-2-4-7(5-6)12(8,9)10;1-11-6-4-2-3-5-7(6)12(8,9)10;1-5(2,3)4/h4-5H,1-3H3;3*2-5H,1H3;1H3.
What are the key properties of methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride?
methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride has a molecular weight of 953.21 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride is sourced from PubChem (CID 173174525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).