3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C14H20N2O4S — CID 110712399

IUPAC3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-11-3-4-13(9-12(11)2)21(18,19)15-10-14(17)16-5-7-20-8-6-16/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyDNTXPFOPYRVRFS-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.44
Rot. Bonds4

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

3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 110712399) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID110712399
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-11-3-4-13(9-12(11)2)21(18,19)15-10-14(17)16-5-7-20-8-6-16/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyDNTXPFOPYRVRFS-UHFFFAOYSA-N
XLogP0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide
CID 166235723
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712416
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 112994213
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110292787
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
N-[3-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 49071768

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 110712399) is 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is DNTXPFOPYRVRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-3-4-13(9-12(11)2)21(18,19)15-10-14(17)16-5-7-20-8-6-16/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.44, 4 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-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 110712399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).