1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide

C13H16N2O4S2 — CID 54107174

IUPAC1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide
SMILESCNS(=O)(=O)c1cccc2c(S(=O)(=O)N(C)C)cccc12
InChIInChI=1S/C13H16N2O4S2/c1-14-20(16,17)12-8-4-7-11-10(12)6-5-9-13(11)21(18,19)15(2)3/h4-9,14H,1-3H3
InChIKeyNEOHHEDTENBLRI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.00
Rot. Bonds4

About 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide

1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide (PubChem CID 54107174) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide.

Molecular Properties

Compound Name1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide
PubChem CID54107174
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide
SMILESCNS(=O)(=O)c1cccc2c(S(=O)(=O)N(C)C)cccc12
InChIInChI=1S/C13H16N2O4S2/c1-14-20(16,17)12-8-4-7-11-10(12)6-5-9-13(11)21(18,19)15(2)3/h4-9,14H,1-3H3
InChIKeyNEOHHEDTENBLRI-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide?
The IUPAC name of 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide (CID 54107174) is 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide.
What is the SMILES notation for 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide?
The canonical SMILES for 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide is CNS(=O)(=O)c1cccc2c(S(=O)(=O)N(C)C)cccc12.
What is the InChIKey of 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide?
The InChIKey is NEOHHEDTENBLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-14-20(16,17)12-8-4-7-11-10(12)6-5-9-13(11)21(18,19)15(2)3/h4-9,14H,1-3H3.
What are the key properties of 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide?
1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide is sourced from PubChem (CID 54107174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).