3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride

C8H8Cl3NO4S2 — CID 43097505

IUPAC3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride
SMILESCCS(=O)(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C8H8Cl3NO4S2/c1-2-17(13,14)12-8-6(9)3-5(4-7(8)10)18(11,15)16/h3-4,12H,2H2,1H3
InChIKeyLTPLHFISCVMLDG-UHFFFAOYSA-N
MW352.65 g/mol
LogP2.68
Rot. Bonds4

About 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride

3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride (PubChem CID 43097505) has the molecular formula C8H8Cl3NO4S2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride
PubChem CID43097505
Molecular FormulaC8H8Cl3NO4S2
Molecular Weight352.65 g/mol
Exact Mass350.90
IUPAC Name3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride
SMILESCCS(=O)(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C8H8Cl3NO4S2/c1-2-17(13,14)12-8-6(9)3-5(4-7(8)10)18(11,15)16/h3-4,12H,2H2,1H3
InChIKeyLTPLHFISCVMLDG-UHFFFAOYSA-N
XLogP2.68
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245920
3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride
CID 43109589
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
CID 114812536
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
CID 83084493
4-(cyclopropylmethylsulfonylamino)-3-ethyl-5-methylbenzenesulfonyl chloride
CID 64987816
3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057811
4,5-dichlorobenzene-1,3-disulfonyl chloride
CID 14195249
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042
3,5-dichloro-4-[(2-methylcyclopropanecarbonyl)amino]benzenesulfonyl chloride
CID 43111105
3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245877
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride (CID 43097505) is 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride is CCS(=O)(=O)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is LTPLHFISCVMLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO4S2/c1-2-17(13,14)12-8-6(9)3-5(4-7(8)10)18(11,15)16/h3-4,12H,2H2,1H3.
What are the key properties of 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride?
3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 352.65 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43097505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).