3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide

C11H16Cl2N2O3S — CID 110758543

IUPAC3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C11H16Cl2N2O3S/c1-15(2)5-4-14-19(16,17)10-7-8(12)6-9(13)11(10)18-3/h6-7,14H,4-5H2,1-3H3
InChIKeyJNUIALJWWGYYIJ-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.84
Rot. Bonds6

About 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide

3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 110758543) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
PubChem CID110758543
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C11H16Cl2N2O3S/c1-15(2)5-4-14-19(16,17)10-7-8(12)6-9(13)11(10)18-3/h6-7,14H,4-5H2,1-3H3
InChIKeyJNUIALJWWGYYIJ-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide 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

3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544
bis[2,4-dichloro-6-[3-(dimethylamino)propylsulfamoyl]phenyl] oxalate
CID 70378311
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 110758467
3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110758530
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
2-(3,5-dichloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769515
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide (CID 110758543) is 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide is COc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCN(C)C.
What is the InChIKey of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is JNUIALJWWGYYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O3S/c1-15(2)5-4-14-19(16,17)10-7-8(12)6-9(13)11(10)18-3/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide?
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 327.23 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110758543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).