4-methoxy-3,5-dimethylbenzenesulfonyl chloride

C9H11ClO3S — CID 22482321

IUPAC4-methoxy-3,5-dimethylbenzenesulfonyl chloride
SMILESCOc1c(C)cc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C9H11ClO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3
InChIKeyVEGVNPNJUIRSMO-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.24
Rot. Bonds2

About 4-methoxy-3,5-dimethylbenzenesulfonyl chloride

4-methoxy-3,5-dimethylbenzenesulfonyl chloride (PubChem CID 22482321) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-3,5-dimethylbenzenesulfonyl chloride
PubChem CID22482321
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name4-methoxy-3,5-dimethylbenzenesulfonyl chloride
SMILESCOc1c(C)cc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C9H11ClO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3
InChIKeyVEGVNPNJUIRSMO-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-3-methylbenzenesulfonamide
CID 847787
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
CID 562787
3,5-Dimethyl-4-methoxythiophenol
CID 2758578
2,3-Dihydrobenzofuran-5-sulfonyl Chloride
CID 2776154
N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 894026
5-Ethyl-2-methoxybenzene-1-sulfonyl chloride
CID 2758862
4-(2-Methylphenoxy)benzene-1-sulfonyl chloride
CID 2794712
4'-Methoxy[1,1'-biphenyl]-3-sulfonyl chloride
CID 4988737
4-Methoxy-2-methylbenzene-1-sulfonyl chloride
CID 12458761
2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 15611038
4-Methoxy-3-methylbenzene-1-sulfonyl chloride
CID 15915317

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-methoxy-3,5-dimethylbenzenesulfonyl chloride (CID 22482321) is 4-methoxy-3,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-methoxy-3,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-methoxy-3,5-dimethylbenzenesulfonyl chloride is COc1c(C)cc(S(=O)(=O)Cl)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethylbenzenesulfonyl chloride?
The InChIKey is VEGVNPNJUIRSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethylbenzenesulfonyl chloride?
4-methoxy-3,5-dimethylbenzenesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 22482321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).