5-ethyl-2-methoxybenzenesulfonyl chloride

C9H11ClO3S — CID 2758862

IUPAC5-ethyl-2-methoxybenzenesulfonyl chloride
SMILESCCc1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-3-7-4-5-8(13-2)9(6-7)14(10,11)12/h4-6H,3H2,1-2H3
InChIKeyVHCODCZMAYFSHT-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.19
Rot. Bonds3

About 5-ethyl-2-methoxybenzenesulfonyl chloride

5-ethyl-2-methoxybenzenesulfonyl chloride (PubChem CID 2758862) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 5-ethyl-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-ethyl-2-methoxybenzenesulfonyl chloride
PubChem CID2758862
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name5-ethyl-2-methoxybenzenesulfonyl chloride
SMILESCCc1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-3-7-4-5-8(13-2)9(6-7)14(10,11)12/h4-6H,3H2,1-2H3
InChIKeyVHCODCZMAYFSHT-UHFFFAOYSA-N
XLogP2.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-3-methylbenzenesulfonamide
CID 847787
5-(2-Aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride
CID 21848695
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
2-Methoxybenzenesulfonyl Chloride
CID 3745851
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
2-Ethyl-phenoxathiine 10,10-dioxide
CID 10848921
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
CID 14566332
N-cyclopropyl-2-methoxy-5-methylbenzenesulfonamide
CID 1248328
2-Methoxy-6-methylbenzene-1-sulfonyl chloride
CID 3718443
(4-Methoxyphenyl)methanesulfonamide
CID 13266264
2-Methoxy-5-(2-oxopropyl)benzenesulfonamide
CID 14179759
(4-Methoxyphenyl)methanesulfonyl fluoride
CID 18958403

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-ethyl-2-methoxybenzenesulfonyl chloride (CID 2758862) is 5-ethyl-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-ethyl-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-ethyl-2-methoxybenzenesulfonyl chloride is CCc1ccc(OC)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-ethyl-2-methoxybenzenesulfonyl chloride?
The InChIKey is VHCODCZMAYFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-3-7-4-5-8(13-2)9(6-7)14(10,11)12/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxybenzenesulfonyl chloride?
5-ethyl-2-methoxybenzenesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 2758862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).