4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C19H27N3O6S — CID 2204445

IUPAC4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H27N3O6S/c1-16-2-4-17(5-3-16)29(25,26)22(14-18(23)20-6-10-27-11-7-20)15-19(24)21-8-12-28-13-9-21/h2-5H,6-15H2,1H3
InChIKeyJURCFXWVYUPOJP-UHFFFAOYSA-N
MW425.51 g/mol
LogP-0.30
Rot. Bonds6

About 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 2204445) has the molecular formula C19H27N3O6S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID2204445
Molecular FormulaC19H27N3O6S
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Name4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H27N3O6S/c1-16-2-4-17(5-3-16)29(25,26)22(14-18(23)20-6-10-27-11-7-20)15-19(24)21-8-12-28-13-9-21/h2-5H,6-15H2,1H3
InChIKeyJURCFXWVYUPOJP-UHFFFAOYSA-N
XLogP-0.30
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2355270
1,4-Bis[(4-methylphenyl)sulfonyl]tetrahydropyrazine-2,5-dione
CID 285263
Morpholin-4-yl-[4-(2,4,6-trimethyl-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1091479
Ethyl 4-[(4-methylphenyl)sulfonyl]-1-piperazinecarboxylate
CID 720863
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
4-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 991615
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N-cyclohexyl-2,4,6-trimethyl-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2202518
4-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}sulfonyl)morpholine
CID 2235354
ethyl 4-{N-cyclohexyl-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
CID 2925960
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
CID 6020328
2-[Methyl-(2,4,6-trimethyl-benzenesulfonyl)-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 2204445) is 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is JURCFXWVYUPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6S/c1-16-2-4-17(5-3-16)29(25,26)22(14-18(23)20-6-10-27-11-7-20)15-19(24)21-8-12-28-13-9-21/h2-5H,6-15H2,1H3.
What are the key properties of 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of -0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 2204445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).