4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide

C8H11ClN2O4S2 — CID 124926790

IUPAC4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)NC
InChIInChI=1S/C8H11ClN2O4S2/c1-10-16(12,13)7-4-3-6(9)5-8(7)17(14,15)11-2/h3-5,10-11H,1-2H3
InChIKeyLOHCSOJMZPZADK-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.16
Rot. Bonds4

About 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide

4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide (PubChem CID 124926790) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide.

Molecular Properties

Compound Name4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
PubChem CID124926790
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC Name4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)NC
InChIInChI=1S/C8H11ClN2O4S2/c1-10-16(12,13)7-4-3-6(9)5-8(7)17(14,15)11-2/h3-5,10-11H,1-2H3
InChIKeyLOHCSOJMZPZADK-UHFFFAOYSA-N
XLogP0.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 70601990
CID 70601990
2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 66877918
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,4-dichloro-N,3-dimethylbenzenesulfonamide
CID 50876498
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
CID 80640845
5-chloro-2-(methylamino)benzenesulfonamide
CID 44590431
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide?
The IUPAC name of 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide (CID 124926790) is 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide.
What is the SMILES notation for 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide?
The canonical SMILES for 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide is CNS(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)NC.
What is the InChIKey of 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide?
The InChIKey is LOHCSOJMZPZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c1-10-16(12,13)7-4-3-6(9)5-8(7)17(14,15)11-2/h3-5,10-11H,1-2H3.
What are the key properties of 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide?
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide has a molecular weight of 298.77 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide is sourced from PubChem (CID 124926790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).