3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C14H22N2O3S — CID 646290

IUPAC3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-12-3-4-14(11-13(12)2)20(17,18)15-5-6-16-7-9-19-10-8-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyARQQVCZFKCDIDU-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.91
Rot. Bonds5

About 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 646290) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID646290
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-12-3-4-14(11-13(12)2)20(17,18)15-5-6-16-7-9-19-10-8-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyARQQVCZFKCDIDU-UHFFFAOYSA-N
XLogP0.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 646290) is 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is ARQQVCZFKCDIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12-3-4-14(11-13(12)2)20(17,18)15-5-6-16-7-9-19-10-8-16/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 646290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).