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

C17H18N4O2S2 — CID 113046005

IUPAC5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nn2)s1
InChIInChI=1S/C17H18N4O2S2/c1-3-14-9-12-17(24-14)25(22,23)20-15-10-11-16(19-18-15)21(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeySQDFXTUXAPKIML-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.67
Rot. Bonds6

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

5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113046005) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113046005
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nn2)s1
InChIInChI=1S/C17H18N4O2S2/c1-3-14-9-12-17(24-14)25(22,23)20-15-10-11-16(19-18-15)21(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeySQDFXTUXAPKIML-UHFFFAOYSA-N
XLogP3.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113038015
4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046015
N-[6-(cycloheptylamino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113044438
N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113026460
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113050558
N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113046870
N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 64894286

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113046005) is 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nn2)s1.
What is the InChIKey of 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is SQDFXTUXAPKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-3-14-9-12-17(24-14)25(22,23)20-15-10-11-16(19-18-15)21(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,18,20).
What are the key properties of 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113046005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).