4,5-dichlorobenzene-1,3-disulfonamide

C6H6Cl2N2O4S2 — CID 3038

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IUPAC4,5-dichlorobenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
InChIKeyGJQPMPFPNINLKP-UHFFFAOYSA-N
MW305.16 g/mol
LogP0.29
Rot. Bonds2

About 4,5-dichlorobenzene-1,3-disulfonamide

4,5-dichlorobenzene-1,3-disulfonamide (PubChem CID 3038) has the molecular formula C6H6Cl2N2O4S2 and a molecular weight of 305.16 g/mol. Its IUPAC name is 4,5-dichlorobenzene-1,3-disulfonamide.

Molecular Properties

Compound Name4,5-dichlorobenzene-1,3-disulfonamide
PubChem CID3038
Molecular FormulaC6H6Cl2N2O4S2
Molecular Weight305.16 g/mol
Exact Mass303.91
IUPAC Name4,5-dichlorobenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
InChIKeyGJQPMPFPNINLKP-UHFFFAOYSA-N
XLogP0.29
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Clofenamide
CID 69594
3,4-Dichlorobenzenesulfonamide
CID 233097
2,4,5-Trichlorobenzenesulfonamide
CID 1241633
2,3-Dichlorobenzenesulfonamide
CID 8317947
Benzenesulfonic acid, 2,4,5-trichloro-, hydrazide
CID 81167
3,4-Dichlorobenzenesulfonohydrazide
CID 2735965
4-Chloro-3-sulphamoylbenzenesulphonyl chloride
CID 100704
2,3,4-Trichlorobenzenesulfonamide
CID 19735349
3-(3,4-Dichlorophenyl)sulfonylbenzenesulfonamide
CID 1068510
3,4-dichloro-N-methylbenzenesulfonamide
CID 222918
2-Chloro-5-sulfamoylbenzene-1-sulfonyl chloride
CID 24702677
4,5-Dichlorobenzene-1,3-disulfonyl dichloride
CID 14195249

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorobenzene-1,3-disulfonamide?
The IUPAC name of 4,5-dichlorobenzene-1,3-disulfonamide (CID 3038) is 4,5-dichlorobenzene-1,3-disulfonamide.
What is the SMILES notation for 4,5-dichlorobenzene-1,3-disulfonamide?
The canonical SMILES for 4,5-dichlorobenzene-1,3-disulfonamide is NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4,5-dichlorobenzene-1,3-disulfonamide?
The InChIKey is GJQPMPFPNINLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14).
What are the key properties of 4,5-dichlorobenzene-1,3-disulfonamide?
4,5-dichlorobenzene-1,3-disulfonamide has a molecular weight of 305.16 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorobenzene-1,3-disulfonamide is sourced from PubChem (CID 3038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).