3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide

C11H18ClN3O4S2 — CID 106333439

IUPAC3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C11H18ClN3O4S2/c1-3-14-20(16,17)5-4-15-21(18,19)11-7-9(12)6-10(13)8(11)2/h6-7,14-15H,3-5,13H2,1-2H3
InChIKeyRWPKCAWSYGIIIQ-UHFFFAOYSA-N
MW355.87 g/mol
LogP0.45
Rot. Bonds7

About 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide

3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 106333439) has the molecular formula C11H18ClN3O4S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID106333439
Molecular FormulaC11H18ClN3O4S2
Molecular Weight355.87 g/mol
Exact Mass355.04
IUPAC Name3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C11H18ClN3O4S2/c1-3-14-20(16,17)5-4-15-21(18,19)11-7-9(12)6-10(13)8(11)2/h6-7,14-15H,3-5,13H2,1-2H3
InChIKeyRWPKCAWSYGIIIQ-UHFFFAOYSA-N
XLogP0.45
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
3-amino-5-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208427
3-[2-[(3-amino-5-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 114380073
3-amino-5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 114379407
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
3-amino-5-chloro-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 114380077
3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034093
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102694349
3-amino-5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide
CID 106139696

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide (CID 106333439) is 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1C.
What is the InChIKey of 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is RWPKCAWSYGIIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O4S2/c1-3-14-20(16,17)5-4-15-21(18,19)11-7-9(12)6-10(13)8(11)2/h6-7,14-15H,3-5,13H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 355.87 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106333439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).