2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide

C9H10N2O5S2 — CID 13392679

IUPAC2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=C=O
InChIInChI=1S/C9H10N2O5S2/c1-11(2)18(15,16)9-6-4-3-5-8(9)17(13,14)10-7-12/h3-6H,1-2H3
InChIKeyBDUGEGRLSBCJTH-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.04
Rot. Bonds4

About 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide

2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide (PubChem CID 13392679) has the molecular formula C9H10N2O5S2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide
PubChem CID13392679
Molecular FormulaC9H10N2O5S2
Molecular Weight290.32 g/mol
Exact Mass290.00
IUPAC Name2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=C=O
InChIInChI=1S/C9H10N2O5S2/c1-11(2)18(15,16)9-6-4-3-5-8(9)17(13,14)10-7-12/h3-6H,1-2H3
InChIKeyBDUGEGRLSBCJTH-UHFFFAOYSA-N
XLogP-0.04
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

2-N-(oxomethylidene)benzene-1,2-disulfonamide
CID 20532150
ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine
CID 157245911
2,5-dimethyl-N-(oxomethylidene)benzenesulfonamide
CID 15232647
N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide
CID 123778385
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide
CID 112737339
N-(oxomethylidene)-2-(1,1,2-trifluoropropoxy)benzenesulfonamide
CID 71327878
2-(1-hydroxyethyl)-N,N-dimethylbenzenesulfonamide
CID 14006033
4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide
CID 87849852
2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide
CID 120708670
8-amino-N,N-dimethylnaphthalene-1-sulfonamide
CID 19430009
2-(but-3-yn-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 114417934

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide (CID 13392679) is 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide is CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=C=O.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide?
The InChIKey is BDUGEGRLSBCJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5S2/c1-11(2)18(15,16)9-6-4-3-5-8(9)17(13,14)10-7-12/h3-6H,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide?
2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide has a molecular weight of 290.32 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide is sourced from PubChem (CID 13392679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).