N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide

C16H20N4O4S — CID 113050339

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C16H20N4O4S/c1-2-3-10-25(21,22)20-16-7-6-15(18-19-16)17-12-4-5-13-14(11-12)24-9-8-23-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyBUYMWNLZCCHGFQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.53
Rot. Bonds7

About N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide

N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide (PubChem CID 113050339) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
PubChem CID113050339
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C16H20N4O4S/c1-2-3-10-25(21,22)20-16-7-6-15(18-19-16)17-12-4-5-13-14(11-12)24-9-8-23-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyBUYMWNLZCCHGFQ-UHFFFAOYSA-N
XLogP2.53
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
CID 113050284
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 54944704
N-[6-(pentylamino)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113044728
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
CID 47371399
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1-sulfonamide
CID 43550625
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide (CID 113050339) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide?
The InChIKey is BUYMWNLZCCHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-3-10-25(21,22)20-16-7-6-15(18-19-16)17-12-4-5-13-14(11-12)24-9-8-23-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 113050339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).