2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride

C10H13ClO4S — CID 138040043

IUPAC2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride
SMILESCOCCc1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H13ClO4S/c1-14-6-5-8-3-4-9(15-2)10(7-8)16(11,12)13/h3-4,7H,5-6H2,1-2H3
InChIKeyZCKMMZCNAVRAOF-UHFFFAOYSA-N
MW264.73 g/mol
LogP1.81
Rot. Bonds5

About 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride

2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride (PubChem CID 138040043) has the molecular formula C10H13ClO4S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride
PubChem CID138040043
Molecular FormulaC10H13ClO4S
Molecular Weight264.73 g/mol
Exact Mass264.02
IUPAC Name2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride
SMILESCOCCc1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H13ClO4S/c1-14-6-5-8-3-4-9(15-2)10(7-8)16(11,12)13/h3-4,7H,5-6H2,1-2H3
InChIKeyZCKMMZCNAVRAOF-UHFFFAOYSA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Disodium oxybis(hexadecylbenzenesulfonate)
CID 73556608
4-Methoxy-3-methylbenzenesulfonamide
CID 847787
5-(2-Aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride
CID 21848695
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
2-Methoxy-5-(2-oxopropyl)benzenesulfonamide
CID 14179759
2-(4-Methoxyphenyl)ethane-1-sulfonyl chloride
CID 13237409
N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide
CID 934523
5-Ethyl-2-methoxybenzene-1-sulfonyl chloride
CID 2758862
4'-Methoxybiphenyl-4-sulfonyl chloride
CID 2794750
2-Methoxy-6-methylbenzene-1-sulfonyl chloride
CID 3718443
4'-Methoxy[1,1'-biphenyl]-3-sulfonyl chloride
CID 4988737
2-Methoxy-5-(propan-2-yl)benzene-1-sulfonyl chloride
CID 6488895

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride (CID 138040043) is 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride is COCCc1ccc(OC)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride?
The InChIKey is ZCKMMZCNAVRAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4S/c1-14-6-5-8-3-4-9(15-2)10(7-8)16(11,12)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride?
2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride has a molecular weight of 264.73 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methoxyethyl)benzenesulfonyl chloride is sourced from PubChem (CID 138040043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).