4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide

C21H24N4O2S — CID 113046015

IUPAC4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C21H24N4O2S/c1-21(2,3)16-10-12-18(13-11-16)28(26,27)24-19-14-15-20(23-22-19)25(4)17-8-6-5-7-9-17/h5-15H,1-4H3,(H,22,24)
InChIKeyDIPZTUGOMLTLHE-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.34
Rot. Bonds5

About 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide

4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113046015) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113046015
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C21H24N4O2S/c1-21(2,3)16-10-12-18(13-11-16)28(26,27)24-19-14-15-20(23-22-19)25(4)17-8-6-5-7-9-17/h5-15H,1-4H3,(H,22,24)
InChIKeyDIPZTUGOMLTLHE-UHFFFAOYSA-N
XLogP4.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113046005
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113051818
4-methoxy-N-[5-(N-methylanilino)-2-pyridinyl]benzenesulfonamide
CID 113031714
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113041327

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide (CID 113046015) is 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide is CN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is DIPZTUGOMLTLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-21(2,3)16-10-12-18(13-11-16)28(26,27)24-19-14-15-20(23-22-19)25(4)17-8-6-5-7-9-17/h5-15H,1-4H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide?
4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 396.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113046015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).