1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide

C15H19N3O4S2 — CID 122150658

IUPAC1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C15H19N3O4S2/c1-12(2)11-17-23(19,20)13-7-3-4-8-14(13)24(21,22)18-15-9-5-6-10-16-15/h3-10,12,17H,11H2,1-2H3,(H,16,18)
InChIKeyMYNNMPVVFCLJDX-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.82
Rot. Bonds7

About 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide

1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide (PubChem CID 122150658) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide
PubChem CID122150658
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C15H19N3O4S2/c1-12(2)11-17-23(19,20)13-7-3-4-8-14(13)24(21,22)18-15-9-5-6-10-16-15/h3-10,12,17H,11H2,1-2H3,(H,16,18)
InChIKeyMYNNMPVVFCLJDX-UHFFFAOYSA-N
XLogP1.82
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide?
The IUPAC name of 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide (CID 122150658) is 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide?
The canonical SMILES for 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide is CC(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide?
The InChIKey is MYNNMPVVFCLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-12(2)11-17-23(19,20)13-7-3-4-8-14(13)24(21,22)18-15-9-5-6-10-16-15/h3-10,12,17H,11H2,1-2H3,(H,16,18).
What are the key properties of 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide?
1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide has a molecular weight of 369.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide is sourced from PubChem (CID 122150658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).