N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C15H17N3O2S — CID 86807387

IUPACN-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(c1cccnn1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H17N3O2S/c1-18(15-7-4-10-16-17-15)21(19,20)14-9-8-12-5-2-3-6-13(12)11-14/h4,7-11H,2-3,5-6H2,1H3
InChIKeyLVTPOOXHDJNDOV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.18
Rot. Bonds3

About N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 86807387) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID86807387
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(c1cccnn1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H17N3O2S/c1-18(15-7-4-10-16-17-15)21(19,20)14-9-8-12-5-2-3-6-13(12)11-14/h4,7-11H,2-3,5-6H2,1H3
InChIKeyLVTPOOXHDJNDOV-UHFFFAOYSA-N
XLogP2.18
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 86807387) is N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(c1cccnn1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is LVTPOOXHDJNDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(15-7-4-10-16-17-15)21(19,20)14-9-8-12-5-2-3-6-13(12)11-14/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 86807387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).