3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide

C14H21N3O5S — CID 16644692

IUPAC3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1C
InChIInChI=1S/C14H21N3O5S/c1-11-9-13(10-14(12(11)2)17(18)19)23(20,21)15-3-4-16-5-7-22-8-6-16/h9-10,15H,3-8H2,1-2H3
InChIKeyLYSZJEJJDJPCAR-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.82
Rot. Bonds6

About 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide

3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide (PubChem CID 16644692) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide
PubChem CID16644692
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1C
InChIInChI=1S/C14H21N3O5S/c1-11-9-13(10-14(12(11)2)17(18)19)23(20,21)15-3-4-16-5-7-22-8-6-16/h9-10,15H,3-8H2,1-2H3
InChIKeyLYSZJEJJDJPCAR-UHFFFAOYSA-N
XLogP0.82
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide 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-[2-(methylamino)ethyl]-5-nitrobenzenesulfonamide
CID 62659310
N-(3-iodopropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 114189123
N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 7574341
N-(3-cyanopropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 62667028
3,4-dimethyl-5-nitro-N-prop-2-ynylbenzenesulfonamide
CID 60681266
4-methyl-3-nitro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 8824055
3,4-dimethyl-N-(2-methylprop-2-enyl)-5-nitrobenzenesulfonamide
CID 114616487
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzenesulfonamide
CID 155680865
4-hydroxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60656162
4-methoxy-3-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966675
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide (CID 16644692) is 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1C.
What is the InChIKey of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide?
The InChIKey is LYSZJEJJDJPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-11-9-13(10-14(12(11)2)17(18)19)23(20,21)15-3-4-16-5-7-22-8-6-16/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide?
3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 16644692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).