N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide

C15H19N3O2S — CID 86807389

IUPACN-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)c2cccnn2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12(2)11-13-6-8-14(9-7-13)21(19,20)18(3)15-5-4-10-16-17-15/h4-10,12H,11H2,1-3H3
InChIKeyFAGVEAHTMWUYRY-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide

N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 86807389) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID86807389
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)c2cccnn2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12(2)11-13-6-8-14(9-7-13)21(19,20)18(3)15-5-4-10-16-17-15/h4-10,12H,11H2,1-3H3
InChIKeyFAGVEAHTMWUYRY-UHFFFAOYSA-N
XLogP2.50
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 86807389) is N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)N(C)c2cccnn2)cc1.
What is the InChIKey of N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is FAGVEAHTMWUYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12(2)11-13-6-8-14(9-7-13)21(19,20)18(3)15-5-4-10-16-17-15/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide?
N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 86807389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).