2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride

C13H18ClNO5S — CID 102701097

IUPAC2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride
SMILESCOc1ccc(CC(=O)NCC(C)OC)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H18ClNO5S/c1-9(19-2)8-15-13(16)7-10-4-5-11(20-3)12(6-10)21(14,17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyXPVSWHWYUQVFDA-UHFFFAOYSA-N
MW335.81 g/mol
LogP1.32
Rot. Bonds7

About 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride

2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride (PubChem CID 102701097) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride
PubChem CID102701097
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride
SMILESCOc1ccc(CC(=O)NCC(C)OC)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H18ClNO5S/c1-9(19-2)8-15-13(16)7-10-4-5-11(20-3)12(6-10)21(14,17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyXPVSWHWYUQVFDA-UHFFFAOYSA-N
XLogP1.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate
CID 65374498
5-(2,3-dimethylbutylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65398816
2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65397770
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
CID 18700405
2,4,5-trichloro-3-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 102701105
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]acetamide
CID 70589342

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride (CID 102701097) is 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride is COc1ccc(CC(=O)NCC(C)OC)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride?
The InChIKey is XPVSWHWYUQVFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-9(19-2)8-15-13(16)7-10-4-5-11(20-3)12(6-10)21(14,17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride?
2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride has a molecular weight of 335.81 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride is sourced from PubChem (CID 102701097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).