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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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).