4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide

C14H18N4O4S2 — CID 55642208

IUPAC4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C14H18N4O4S2/c1-18(2)14-9-11(7-8-16-14)10-17-24(21,22)13-5-3-12(4-6-13)23(15,19)20/h3-9,17H,10H2,1-2H3,(H2,15,19,20)
InChIKeyFKACZGKCMUFTPL-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.27
Rot. Bonds6

About 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide

4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide (PubChem CID 55642208) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide
PubChem CID55642208
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C14H18N4O4S2/c1-18(2)14-9-11(7-8-16-14)10-17-24(21,22)13-5-3-12(4-6-13)23(15,19)20/h3-9,17H,10H2,1-2H3,(H2,15,19,20)
InChIKeyFKACZGKCMUFTPL-UHFFFAOYSA-N
XLogP0.27
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide (CID 55642208) is 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide is CN(C)c1cc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccn1.
What is the InChIKey of 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide?
The InChIKey is FKACZGKCMUFTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-18(2)14-9-11(7-8-16-14)10-17-24(21,22)13-5-3-12(4-6-13)23(15,19)20/h3-9,17H,10H2,1-2H3,(H2,15,19,20).
What are the key properties of 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide?
4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide has a molecular weight of 370.46 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 55642208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).