5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide

C17H18N4O2S2 — CID 113042391

IUPAC5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCc3ccccc3)nn2)s1
InChIInChI=1S/C17H18N4O2S2/c1-13-7-10-17(24-13)25(22,23)21-16-9-8-15(19-20-16)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyQMKXYASMXQQQQO-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.30
Rot. Bonds7

About 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide

5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113042391) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113042391
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCc3ccccc3)nn2)s1
InChIInChI=1S/C17H18N4O2S2/c1-13-7-10-17(24-13)25(22,23)21-16-9-8-15(19-20-16)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyQMKXYASMXQQQQO-UHFFFAOYSA-N
XLogP3.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.30
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-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941890
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
3,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113044152
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113042480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113042391) is 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCCc3ccccc3)nn2)s1.
What is the InChIKey of 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is QMKXYASMXQQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-13-7-10-17(24-13)25(22,23)21-16-9-8-15(19-20-16)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide?
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113042391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).