N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide

C12H14N4O4S3 — CID 113042976

IUPACN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide
SMILESO=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3cccs3)nn2)C1
InChIInChI=1S/C12H14N4O4S3/c17-22(18)7-5-9(8-22)13-10-3-4-11(15-14-10)16-23(19,20)12-2-1-6-21-12/h1-4,6,9H,5,7-8H2,(H,13,14)(H,15,16)
InChIKeyXLAKJBMTCCYPJE-UHFFFAOYSA-N
MW374.47 g/mol
LogP0.94
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113042976) has the molecular formula C12H14N4O4S3 and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113042976
Molecular FormulaC12H14N4O4S3
Molecular Weight374.47 g/mol
Exact Mass374.02
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide
SMILESO=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3cccs3)nn2)C1
InChIInChI=1S/C12H14N4O4S3/c17-22(18)7-5-9(8-22)13-10-3-4-11(15-14-10)16-23(19,20)12-2-1-6-21-12/h1-4,6,9H,5,7-8H2,(H,13,14)(H,15,16)
InChIKeyXLAKJBMTCCYPJE-UHFFFAOYSA-N
XLogP0.94
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113013654
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113051603
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113013655
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113013605
6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121378
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30789083
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide (CID 113042976) is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide is O=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3cccs3)nn2)C1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is XLAKJBMTCCYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S3/c17-22(18)7-5-9(8-22)13-10-3-4-11(15-14-10)16-23(19,20)12-2-1-6-21-12/h1-4,6,9H,5,7-8H2,(H,13,14)(H,15,16).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide?
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113042976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).