5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide

C13H18N4O2S2 — CID 113038015

IUPAC5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-4-10-5-8-13(20-10)21(18,19)17-12-7-6-11(15-16-12)14-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNBMLBNNDPUAVJP-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.72
Rot. Bonds6

About 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide

5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113038015) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113038015
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-4-10-5-8-13(20-10)21(18,19)17-12-7-6-11(15-16-12)14-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNBMLBNNDPUAVJP-UHFFFAOYSA-N
XLogP2.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cycloheptylamino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113044438
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113046005
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113050558
N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113037989
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990
5-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113024663
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113038015) is 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)s1.
What is the InChIKey of 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is NBMLBNNDPUAVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-4-10-5-8-13(20-10)21(18,19)17-12-7-6-11(15-16-12)14-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113038015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).