4-chloro-3-ethylsulfonylbenzenesulfonamide

C8H10ClNO4S2 — CID 54596106

IUPAC4-chloro-3-ethylsulfonylbenzenesulfonamide
SMILESCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C8H10ClNO4S2/c1-2-15(11,12)8-5-6(16(10,13)14)3-4-7(8)9/h3-5H,2H2,1H3,(H2,10,13,14)
InChIKeyXVQYEOWPATUPPC-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.78
Rot. Bonds3

About 4-chloro-3-ethylsulfonylbenzenesulfonamide

4-chloro-3-ethylsulfonylbenzenesulfonamide (PubChem CID 54596106) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-3-ethylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-ethylsulfonylbenzenesulfonamide
PubChem CID54596106
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Name4-chloro-3-ethylsulfonylbenzenesulfonamide
SMILESCCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C8H10ClNO4S2/c1-2-15(11,12)8-5-6(16(10,13)14)3-4-7(8)9/h3-5H,2H2,1H3,(H2,10,13,14)
InChIKeyXVQYEOWPATUPPC-UHFFFAOYSA-N
XLogP0.78
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
4-bromo-3-propylsulfonylbenzenesulfonamide
CID 54596102
4-[(2-chloro-5-sulfamoylphenyl)sulfonyl-ethylamino]benzoic acid
CID 166391621
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
CID 63687162
3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70564740
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43745778
4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethylsulfonylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-ethylsulfonylbenzenesulfonamide (CID 54596106) is 4-chloro-3-ethylsulfonylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-ethylsulfonylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-ethylsulfonylbenzenesulfonamide is CCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-ethylsulfonylbenzenesulfonamide?
The InChIKey is XVQYEOWPATUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c1-2-15(11,12)8-5-6(16(10,13)14)3-4-7(8)9/h3-5H,2H2,1H3,(H2,10,13,14).
What are the key properties of 4-chloro-3-ethylsulfonylbenzenesulfonamide?
4-chloro-3-ethylsulfonylbenzenesulfonamide has a molecular weight of 283.76 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethylsulfonylbenzenesulfonamide is sourced from PubChem (CID 54596106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).