2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride

C8H7Cl2NO6S2 — CID 115471997

IUPAC2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride
SMILESO=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2NO6S2/c9-6-1-2-7(11(12)13)8(5-6)18(14,15)3-4-19(10,16)17/h1-2,5H,3-4H2
InChIKeyZIVCPULIJNNHFV-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.59
Rot. Bonds5

About 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride

2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride (PubChem CID 115471997) has the molecular formula C8H7Cl2NO6S2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride
PubChem CID115471997
Molecular FormulaC8H7Cl2NO6S2
Molecular Weight348.19 g/mol
Exact Mass346.91
IUPAC Name2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride
SMILESO=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2NO6S2/c9-6-1-2-7(11(12)13)8(5-6)18(14,15)3-4-19(10,16)17/h1-2,5H,3-4H2
InChIKeyZIVCPULIJNNHFV-UHFFFAOYSA-N
XLogP1.59
TPSA111.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 113315986
CID 58762875
CID 58762875
2-(3,5-difluoro-2-nitrophenyl)sulfonylethanesulfonyl chloride
CID 115509884
N,N-dibutyl-5-chloro-2-nitrobenzenesulfonamide
CID 7574217
2-(benzenesulfonylmethyl)-4-chloro-1-nitrobenzene
CID 2324900
4-chloro-2-nitroaniline
CID 6979
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218
1-chloro-4-(3-chloropropylsulfonyl)-2-fluoro-5-nitrobenzene
CID 66126993
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
(5-chloro-2-nitrophenyl)sulfamic acid
CID 11842973
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 120717656
4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene
CID 134107424

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride?
The IUPAC name of 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride (CID 115471997) is 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride.
What is the SMILES notation for 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride?
The canonical SMILES for 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride is O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)CCS(=O)(=O)Cl.
What is the InChIKey of 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride?
The InChIKey is ZIVCPULIJNNHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO6S2/c9-6-1-2-7(11(12)13)8(5-6)18(14,15)3-4-19(10,16)17/h1-2,5H,3-4H2.
What are the key properties of 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride?
2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride has a molecular weight of 348.19 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride is sourced from PubChem (CID 115471997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).