4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride

C15H20ClNO6S — CID 46741506

IUPAC4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride
SMILESCOc1cc(CCC(=O)N2CCOCC2)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C15H20ClNO6S/c1-21-12-9-11(14(24(16,19)20)10-13(12)22-2)3-4-15(18)17-5-7-23-8-6-17/h9-10H,3-8H2,1-2H3
InChIKeyPKNISKJWXSNWPA-UHFFFAOYSA-N
MW377.85 g/mol
LogP1.42
Rot. Bonds6

About 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride

4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride (PubChem CID 46741506) has the molecular formula C15H20ClNO6S and a molecular weight of 377.85 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride
PubChem CID46741506
Molecular FormulaC15H20ClNO6S
Molecular Weight377.85 g/mol
Exact Mass377.07
IUPAC Name4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride
SMILESCOc1cc(CCC(=O)N2CCOCC2)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C15H20ClNO6S/c1-21-12-9-11(14(24(16,19)20)10-13(12)22-2)3-4-15(18)17-5-7-23-8-6-17/h9-10H,3-8H2,1-2H3
InChIKeyPKNISKJWXSNWPA-UHFFFAOYSA-N
XLogP1.42
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 12650122
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140660
3-(2-chloro-4,5-dimethoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 83943607
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 3721998
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 75488987
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride?
The IUPAC name of 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride (CID 46741506) is 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride.
What is the SMILES notation for 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride?
The canonical SMILES for 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride is COc1cc(CCC(=O)N2CCOCC2)c(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride?
The InChIKey is PKNISKJWXSNWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO6S/c1-21-12-9-11(14(24(16,19)20)10-13(12)22-2)3-4-15(18)17-5-7-23-8-6-17/h9-10H,3-8H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride?
4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride has a molecular weight of 377.85 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride is sourced from PubChem (CID 46741506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).