2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide

C13H19Cl2N2O4S+ — CID 6971852

IUPAC2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1Cl
InChIInChI=1S/C13H18Cl2N2O4S/c1-20-12-8-11(15)13(9-10(12)14)22(18,19)16-2-3-17-4-6-21-7-5-17/h8-9,16H,2-7H2,1H3/p+1
InChIKeyDGJZZOKUSFMNMH-UHFFFAOYSA-O
MW370.28 g/mol
LogP0.20
Rot. Bonds6

About 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide

2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide (PubChem CID 6971852) has the molecular formula C13H19Cl2N2O4S+ and a molecular weight of 370.28 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
PubChem CID6971852
Molecular FormulaC13H19Cl2N2O4S+
Molecular Weight370.28 g/mol
Exact Mass369.04
IUPAC Name2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1Cl
InChIInChI=1S/C13H18Cl2N2O4S/c1-20-12-8-11(15)13(9-10(12)14)22(18,19)16-2-3-17-4-6-21-7-5-17/h8-9,16H,2-7H2,1H3/p+1
InChIKeyDGJZZOKUSFMNMH-UHFFFAOYSA-O
XLogP0.20
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)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

2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 6978351
2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
CID 7242123
2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7381126
4-bromo-2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8025065
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate
CID 2348902
2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7850818
2,6-dichloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 2120798
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 3047039
2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 120711359
4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzenesulfonamide
CID 7808723

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide (CID 6971852) is 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The InChIKey is DGJZZOKUSFMNMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18Cl2N2O4S/c1-20-12-8-11(15)13(9-10(12)14)22(18,19)16-2-3-17-4-6-21-7-5-17/h8-9,16H,2-7H2,1H3/p+1.
What are the key properties of 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide has a molecular weight of 370.28 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6971852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).