N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide

C18H26N4O2S — CID 113047101

IUPACN-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H26N4O2S/c1-5-6-13-25(23,24)22-17-12-11-16(20-21-17)19-15-10-8-7-9-14(15)18(2,3)4/h7-12H,5-6,13H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyYUCMGTKASFOQKO-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.06
Rot. Bonds7

About N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide

N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide (PubChem CID 113047101) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
PubChem CID113047101
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H26N4O2S/c1-5-6-13-25(23,24)22-17-12-11-16(20-21-17)19-15-10-8-7-9-14(15)18(2,3)4/h7-12H,5-6,13H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyYUCMGTKASFOQKO-UHFFFAOYSA-N
XLogP4.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047098
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113048664
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113048434
N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113047104
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
2-(butylsulfonylamino)benzamide
CID 17376030
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047079
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide (CID 113047101) is N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccccc2C(C)(C)C)nn1.
What is the InChIKey of N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide?
The InChIKey is YUCMGTKASFOQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-5-6-13-25(23,24)22-17-12-11-16(20-21-17)19-15-10-8-7-9-14(15)18(2,3)4/h7-12H,5-6,13H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide?
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 113047101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).