1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide

C6H4Cl4N2O4S2 — CID 19375340

IUPAC1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide
SMILESO=S(=O)(c1cccc(S(=O)(=O)N(Cl)Cl)c1)N(Cl)Cl
InChIInChI=1S/C6H4Cl4N2O4S2/c7-11(8)17(13,14)5-2-1-3-6(4-5)18(15,16)12(9)10/h1-4H
InChIKeyTZQGSHRFDOTJQQ-UHFFFAOYSA-N
MW374.05 g/mol
LogP2.28
Rot. Bonds4

About 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide

1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide (PubChem CID 19375340) has the molecular formula C6H4Cl4N2O4S2 and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide
PubChem CID19375340
Molecular FormulaC6H4Cl4N2O4S2
Molecular Weight374.05 g/mol
Exact Mass371.84
IUPAC Name1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide
SMILESO=S(=O)(c1cccc(S(=O)(=O)N(Cl)Cl)c1)N(Cl)Cl
InChIInChI=1S/C6H4Cl4N2O4S2/c7-11(8)17(13,14)5-2-1-3-6(4-5)18(15,16)12(9)10/h1-4H
InChIKeyTZQGSHRFDOTJQQ-UHFFFAOYSA-N
XLogP2.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide
CID 89277792
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
N,N-dimethylazulene-5-sulfonamide
CID 67469153
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
3-(benzenesulfonyl)-N-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 87701025
benzene-1,3-disulfonamide
CID 3090044
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-ethynyl-N,N-dimethylbenzenesulfonamide
CID 129210848
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
CID 71291795
CID 71291795
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide (CID 19375340) is 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide is O=S(=O)(c1cccc(S(=O)(=O)N(Cl)Cl)c1)N(Cl)Cl.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide?
The InChIKey is TZQGSHRFDOTJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl4N2O4S2/c7-11(8)17(13,14)5-2-1-3-6(4-5)18(15,16)12(9)10/h1-4H.
What are the key properties of 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide?
1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide has a molecular weight of 374.05 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide is sourced from PubChem (CID 19375340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).