N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C14H20N2O4S — CID 892833

IUPACN,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)21(18,19)15(2)11-14(17)16-7-9-20-10-8-16/h3-6H,7-11H2,1-2H3
InChIKeyWKNUQMMADFICCY-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.47
Rot. Bonds4

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

N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 892833) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID892833
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)21(18,19)15(2)11-14(17)16-7-9-20-10-8-16/h3-6H,7-11H2,1-2H3
InChIKeyWKNUQMMADFICCY-UHFFFAOYSA-N
XLogP0.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 892833) is N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is WKNUQMMADFICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)21(18,19)15(2)11-14(17)16-7-9-20-10-8-16/h3-6H,7-11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 892833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).