N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide

C17H24N4O3S — CID 113048664

IUPACN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2OC(C)C)nn1
InChIInChI=1S/C17H24N4O3S/c1-4-5-12-25(22,23)21-17-11-10-16(19-20-17)18-14-8-6-7-9-15(14)24-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCTXKMEOQAJKEJB-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.55
Rot. Bonds9

About N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide (PubChem CID 113048664) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
PubChem CID113048664
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2OC(C)C)nn1
InChIInChI=1S/C17H24N4O3S/c1-4-5-12-25(22,23)21-17-11-10-16(19-20-17)18-14-8-6-7-9-15(14)24-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCTXKMEOQAJKEJB-UHFFFAOYSA-N
XLogP3.55
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113048434
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
CID 112987807
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide (CID 113048664) is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccccc2OC(C)C)nn1.
What is the InChIKey of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide?
The InChIKey is CTXKMEOQAJKEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-5-12-25(22,23)21-17-11-10-16(19-20-17)18-14-8-6-7-9-15(14)24-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide?
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 113048664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).