3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

C13H17ClN2O5S — CID 110722675

IUPAC3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCOCC2=O)cc1Cl
InChIInChI=1S/C13H17ClN2O5S/c1-20-12-3-2-10(8-11(12)14)22(18,19)15-4-5-16-6-7-21-9-13(16)17/h2-3,8,15H,4-7,9H2,1H3
InChIKeyJKXCNICSJWKKHL-UHFFFAOYSA-N
MW348.81 g/mol
LogP0.49
Rot. Bonds6

About 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 110722675) has the molecular formula C13H17ClN2O5S and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID110722675
Molecular FormulaC13H17ClN2O5S
Molecular Weight348.81 g/mol
Exact Mass348.05
IUPAC Name3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCOCC2=O)cc1Cl
InChIInChI=1S/C13H17ClN2O5S/c1-20-12-3-2-10(8-11(12)14)22(18,19)15-4-5-16-6-7-21-9-13(16)17/h2-3,8,15H,4-7,9H2,1H3
InChIKeyJKXCNICSJWKKHL-UHFFFAOYSA-N
XLogP0.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722666
4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722694
3-chloro-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90615376
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110722686
3-chloro-4-methoxy-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122328127
3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
CID 110287612
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
CID 99996993
3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126082

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (CID 110722675) is 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN2CCOCC2=O)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is JKXCNICSJWKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O5S/c1-20-12-3-2-10(8-11(12)14)22(18,19)15-4-5-16-6-7-21-9-13(16)17/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110722675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).