4-chloro-3-(ethylsulfonylamino)benzenesulfonamide

C8H11ClN2O4S2 — CID 61132365

IUPAC4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C8H11ClN2O4S2/c1-2-16(12,13)11-8-5-6(17(10,14)15)3-4-7(8)9/h3-5,11H,2H2,1H3,(H2,10,14,15)
InChIKeyIRNJMBRDRXZYKM-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.75
Rot. Bonds4

About 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide

4-chloro-3-(ethylsulfonylamino)benzenesulfonamide (PubChem CID 61132365) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
PubChem CID61132365
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC Name4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C8H11ClN2O4S2/c1-2-16(12,13)11-8-5-6(17(10,14)15)3-4-7(8)9/h3-5,11H,2H2,1H3,(H2,10,14,15)
InChIKeyIRNJMBRDRXZYKM-UHFFFAOYSA-N
XLogP0.75
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
CID 63687162
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide
CID 124927749
3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
CID 82843552
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132456
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316
4-chloro-3-ethylsulfonylbenzenesulfonamide
CID 54596106
4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43745778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide (CID 61132365) is 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide is CCS(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide?
The InChIKey is IRNJMBRDRXZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c1-2-16(12,13)11-8-5-6(17(10,14)15)3-4-7(8)9/h3-5,11H,2H2,1H3,(H2,10,14,15).
What are the key properties of 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide?
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide has a molecular weight of 298.77 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(ethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 61132365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).