N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide

C12H16N4O2S2 — CID 113044334

IUPACN-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)Nc1ccc(NS(=O)(=O)c2cccs2)nn1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)13-9-6-7-10(15-14-9)16-20(17,18)11-5-4-8-19-11/h4-8H,1-3H3,(H,13,14)(H,15,16)
InChIKeyAYZKVUFENINYPV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.55
Rot. Bonds4

About N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide

N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113044334) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113044334
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC NameN-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)Nc1ccc(NS(=O)(=O)c2cccs2)nn1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)13-9-6-7-10(15-14-9)16-20(17,18)11-5-4-8-19-11/h4-8H,1-3H3,(H,13,14)(H,15,16)
InChIKeyAYZKVUFENINYPV-UHFFFAOYSA-N
XLogP2.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113047104
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113051603
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925
N-(5-bromo-2-pyridinyl)thiophene-2-sulfonamide
CID 778331
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042976
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113044334) is N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide is CC(C)(C)Nc1ccc(NS(=O)(=O)c2cccs2)nn1.
What is the InChIKey of N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is AYZKVUFENINYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-12(2,3)13-9-6-7-10(15-14-9)16-20(17,18)11-5-4-8-19-11/h4-8H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113044334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).