3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide

C12H18N2O3S — CID 19682522

IUPAC3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN2CCOCC2)cc1C
InChIInChI=1S/C12H18N2O3S/c1-10-3-4-12(9-11(10)2)18(15,16)13-14-5-7-17-8-6-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeySHCIKVLVMFZWRX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.83
Rot. Bonds3

About 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide

3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 19682522) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
PubChem CID19682522
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN2CCOCC2)cc1C
InChIInChI=1S/C12H18N2O3S/c1-10-3-4-12(9-11(10)2)18(15,16)13-14-5-7-17-8-6-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeySHCIKVLVMFZWRX-UHFFFAOYSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide 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

4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075759
4-[hydroxy(oxido)amino]-N-morpholin-4-ylbenzenesulfonamide
CID 21139487
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557
6-(methylamino)-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83023693
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide (CID 19682522) is 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is SHCIKVLVMFZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-3-4-12(9-11(10)2)18(15,16)13-14-5-7-17-8-6-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide?
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 19682522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).