benzene-1,3-disulfonamide

C6H8N2O4S2 — CID 3090044

IUPACbenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C6H8N2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
InChIKeyHUYYFHGIHVULSU-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.02
Rot. Bonds2

About benzene-1,3-disulfonamide

benzene-1,3-disulfonamide (PubChem CID 3090044) has the molecular formula C6H8N2O4S2 and a molecular weight of 236.27 g/mol. Its IUPAC name is benzene-1,3-disulfonamide.

Molecular Properties

Compound Namebenzene-1,3-disulfonamide
PubChem CID3090044
Molecular FormulaC6H8N2O4S2
Molecular Weight236.27 g/mol
Exact Mass235.99
IUPAC Namebenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C6H8N2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
InChIKeyHUYYFHGIHVULSU-UHFFFAOYSA-N
XLogP-1.02
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
3-methylbenzenesulfonamide
CID 69347063
3-iodobenzenesulfonamide
CID 11219806
potassium 3-chlorobenzenesulfonamide
CID 19353487
3-N-methoxybenzene-1,3-disulfonamide
CID 60713608
3-methoxybenzenesulfonamide
CID 14763060
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
CID 68601834
CID 68601834
CID 70262336
CID 70262336
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
3-[(3-sulfamoylphenyl)iminomethylideneamino]benzenesulfonamide
CID 163451319
3-sulfamoylbenzenesulfinate
CID 19860050

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-disulfonamide?
The IUPAC name of benzene-1,3-disulfonamide (CID 3090044) is benzene-1,3-disulfonamide.
What is the SMILES notation for benzene-1,3-disulfonamide?
The canonical SMILES for benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of benzene-1,3-disulfonamide?
The InChIKey is HUYYFHGIHVULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12).
What are the key properties of benzene-1,3-disulfonamide?
benzene-1,3-disulfonamide has a molecular weight of 236.27 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-disulfonamide is sourced from PubChem (CID 3090044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).