2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

C13H18N2O5S — CID 82915625

IUPAC2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1cc(OCC(=O)N2CCOCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-10-8-11(2-3-12(10)21(14,17)18)20-9-13(16)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,14,17,18)
InChIKeyDNAUFSBZTHCHJC-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.12
Rot. Bonds4

About 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (PubChem CID 82915625) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
PubChem CID82915625
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1cc(OCC(=O)N2CCOCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-10-8-11(2-3-12(10)21(14,17)18)20-9-13(16)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,14,17,18)
InChIKeyDNAUFSBZTHCHJC-UHFFFAOYSA-N
XLogP-0.12
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-isocyanato-3-methylphenoxy)-1-morpholin-4-ylethanone
CID 169354502
5-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915954
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2052018
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid
CID 70031847
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108568804

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The IUPAC name of 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (CID 82915625) is 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The canonical SMILES for 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is Cc1cc(OCC(=O)N2CCOCC2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The InChIKey is DNAUFSBZTHCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-10-8-11(2-3-12(10)21(14,17)18)20-9-13(16)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,14,17,18).
What are the key properties of 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide has a molecular weight of 314.36 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is sourced from PubChem (CID 82915625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).