3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide

C10H15Cl2N3O4S2 — CID 106333613

IUPAC3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C10H15Cl2N3O4S2/c1-15(2)20(16,17)6-5-14-21(18,19)8-4-3-7(11)10(13)9(8)12/h3-4,14H,5-6,13H2,1-2H3
InChIKeyLGBJMFYMXIZUHW-UHFFFAOYSA-N
MW376.29 g/mol
LogP0.75
Rot. Bonds6

About 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide

3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106333613) has the molecular formula C10H15Cl2N3O4S2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106333613
Molecular FormulaC10H15Cl2N3O4S2
Molecular Weight376.29 g/mol
Exact Mass374.99
IUPAC Name3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C10H15Cl2N3O4S2/c1-15(2)20(16,17)6-5-14-21(18,19)8-4-3-7(11)10(13)9(8)12/h3-4,14H,5-6,13H2,1-2H3
InChIKeyLGBJMFYMXIZUHW-UHFFFAOYSA-N
XLogP0.75
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
CID 106336289
3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide
CID 114264574
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392278
3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391987
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106335923
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
3-amino-2,4-dichloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392127

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide (CID 106333613) is 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is LGBJMFYMXIZUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O4S2/c1-15(2)20(16,17)6-5-14-21(18,19)8-4-3-7(11)10(13)9(8)12/h3-4,14H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide?
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 376.29 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106333613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).