4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C10H15Cl2N3O2S — CID 43257027

IUPAC4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H15Cl2N3O2S/c1-15(2)4-3-14-18(16,17)10-8(11)5-7(13)6-9(10)12/h5-6,14H,3-4,13H2,1-2H3
InChIKeyYYAUHRQXOVLJSL-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.42
Rot. Bonds5

About 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 43257027) has the molecular formula C10H15Cl2N3O2S and a molecular weight of 312.22 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID43257027
Molecular FormulaC10H15Cl2N3O2S
Molecular Weight312.22 g/mol
Exact Mass311.03
IUPAC Name4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H15Cl2N3O2S/c1-15(2)4-3-14-18(16,17)10-8(11)5-7(13)6-9(10)12/h5-6,14H,3-4,13H2,1-2H3
InChIKeyYYAUHRQXOVLJSL-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515168
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63820548
N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 118636668
3-amino-4-bromo-5-chloro-N-[4-(dimethylamino)butyl]-2-fluorobenzenesulfonamide
CID 103077439
methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
CID 99639450

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 43257027) is 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is YYAUHRQXOVLJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O2S/c1-15(2)4-3-14-18(16,17)10-8(11)5-7(13)6-9(10)12/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43257027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).