2-amino-4,5-dichlorobenzenesulfonyl chloride

C6H4Cl3NO2S — CID 12637874

IUPAC2-amino-4,5-dichlorobenzenesulfonyl chloride
SMILESNc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H4Cl3NO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H,10H2
InChIKeyAHIKUUZQSJTSMX-UHFFFAOYSA-N
MW260.53 g/mol
LogP2.50
Rot. Bonds1

About 2-amino-4,5-dichlorobenzenesulfonyl chloride

2-amino-4,5-dichlorobenzenesulfonyl chloride (PubChem CID 12637874) has the molecular formula C6H4Cl3NO2S and a molecular weight of 260.53 g/mol. Its IUPAC name is 2-amino-4,5-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-amino-4,5-dichlorobenzenesulfonyl chloride
PubChem CID12637874
Molecular FormulaC6H4Cl3NO2S
Molecular Weight260.53 g/mol
Exact Mass258.90
IUPAC Name2-amino-4,5-dichlorobenzenesulfonyl chloride
SMILESNc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H4Cl3NO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H,10H2
InChIKeyAHIKUUZQSJTSMX-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,5-dichlorobenzenesulfonyl fluoride
CID 15333361
4-aminobenzene-1,3-disulfonyl chloride
CID 154087966
4-amino-6-butylbenzene-1,3-disulfonyl chloride
CID 154207935
2-amino-5-chloro-6-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103068
2,3,5-trichloro-4-methylbenzenesulfonyl chloride
CID 13491222
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
4,5-dichlorobenzene-1,3-disulfonyl chloride
CID 14195249
4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 70635241
4,6-bis(methylsulfonyl)benzene-1,3-diamine
CID 177497967
4-bromo-5-chloro-2-fluorobenzenesulfonyl chloride
CID 50998068
5-chloro-4-fluoro-2-hydroxybenzenesulfonyl chloride
CID 84704753
2,5-dichloro-4-cyanobenzenesulfonyl chloride
CID 131168951

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dichlorobenzenesulfonyl chloride?
The IUPAC name of 2-amino-4,5-dichlorobenzenesulfonyl chloride (CID 12637874) is 2-amino-4,5-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-amino-4,5-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 2-amino-4,5-dichlorobenzenesulfonyl chloride is Nc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-amino-4,5-dichlorobenzenesulfonyl chloride?
The InChIKey is AHIKUUZQSJTSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H,10H2.
What are the key properties of 2-amino-4,5-dichlorobenzenesulfonyl chloride?
2-amino-4,5-dichlorobenzenesulfonyl chloride has a molecular weight of 260.53 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 12637874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).