N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H24N4O2S — CID 113038643

IUPACN-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nn1
InChIInChI=1S/C18H24N4O2S/c1-3-13(2)19-17-10-11-18(21-20-17)22-25(23,24)16-9-8-14-6-4-5-7-15(14)12-16/h8-13H,3-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVYJWTRVWLKTGHR-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.37
Rot. Bonds6

About N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113038643) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113038643
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nn1
InChIInChI=1S/C18H24N4O2S/c1-3-13(2)19-17-10-11-18(21-20-17)22-25(23,24)16-9-8-14-6-4-5-7-15(14)12-16/h8-13H,3-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVYJWTRVWLKTGHR-UHFFFAOYSA-N
XLogP3.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide 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-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113051790
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113030339
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-butan-2-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061910
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113038643) is N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nn1.
What is the InChIKey of N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is VYJWTRVWLKTGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-13(2)19-17-10-11-18(21-20-17)22-25(23,24)16-9-8-14-6-4-5-7-15(14)12-16/h8-13H,3-7H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113038643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).