2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide

C11H19N3O4S2 — CID 120708670

IUPAC2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide
SMILESCNCCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H19N3O4S2/c1-12-8-9-13-19(15,16)10-6-4-5-7-11(10)20(17,18)14(2)3/h4-7,12-13H,8-9H2,1-3H3
InChIKeyDHFZQUSEYXIEHD-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.57
Rot. Bonds7

About 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide

2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide (PubChem CID 120708670) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide
PubChem CID120708670
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide
SMILESCNCCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H19N3O4S2/c1-12-8-9-13-19(15,16)10-6-4-5-7-11(10)20(17,18)14(2)3/h4-7,12-13H,8-9H2,1-3H3
InChIKeyDHFZQUSEYXIEHD-UHFFFAOYSA-N
XLogP-0.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Butylbenzenesulfonamide
CID 19241
N,N'-Ethylenebisbenzenesulfonamide
CID 72892
1-(Benzenesulfonyl)piperazine
CID 808712
N-Ethylbenzenesulfonamide
CID 79279
Coceth-25
CID 71393049
1-(4-Fluorobenzenesulfonyl)piperazine
CID 2063342
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
N-(2-Diethylamino-ethyl)-4-iodo-benzenesulfonamide
CID 10833752
N-(ethylcarbamothioyl)benzenesulfonamide
CID 914065
Iso-butyl-substituted sulfonamide, 9a
CID 44236888
N-Butyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645283
Benzenesulfonamide, N-(4-(diethylamino)-2-butynyl)-
CID 204732

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide (CID 120708670) is 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide is CNCCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide?
The InChIKey is DHFZQUSEYXIEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-12-8-9-13-19(15,16)10-6-4-5-7-11(10)20(17,18)14(2)3/h4-7,12-13H,8-9H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide?
2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,2-disulfonamide is sourced from PubChem (CID 120708670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).