N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

C13H18N4O2S2 — CID 113044335

IUPACN-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-9-5-8-12(20-9)21(18,19)17-11-7-6-10(15-16-11)14-13(2,3)4/h5-8H,1-4H3,(H,14,15)(H,16,17)
InChIKeyDZOOOHFSIZLVDG-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.86
Rot. Bonds4

About N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (PubChem CID 113044335) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
PubChem CID113044335
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-9-5-8-12(20-9)21(18,19)17-11-7-6-10(15-16-11)14-13(2,3)4/h5-8H,1-4H3,(H,14,15)(H,16,17)
InChIKeyDZOOOHFSIZLVDG-UHFFFAOYSA-N
XLogP2.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113042480
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide
CID 113044323
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
6-[(5-methylthiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263723

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (CID 113044335) is N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)s1.
What is the InChIKey of N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The InChIKey is DZOOOHFSIZLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-5-8-12(20-9)21(18,19)17-11-7-6-10(15-16-11)14-13(2,3)4/h5-8H,1-4H3,(H,14,15)(H,16,17).
What are the key properties of N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.86, 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]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113044335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).