N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C17H17N3O3S2 — CID 20939814

IUPACN-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1C
InChIInChI=1S/C17H17N3O3S2/c1-11-4-5-13(10-12(11)2)20(3)25(22,23)17-9-7-15(24-17)14-6-8-16(21)19-18-14/h4-10H,1-3H3,(H,19,21)
InChIKeyZKYSJGKANSQDCZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.94
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939814) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939814
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1C
InChIInChI=1S/C17H17N3O3S2/c1-11-4-5-13(10-12(11)2)20(3)25(22,23)17-9-7-15(24-17)14-6-8-16(21)19-18-14/h4-10H,1-3H3,(H,19,21)
InChIKeyZKYSJGKANSQDCZ-UHFFFAOYSA-N
XLogP2.94
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 9627167
N-(2,3-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926904
N-(4-methylphenyl)-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)methanesulfonamide
CID 9676566
N-(2-Ethyl-6-methylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926914
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-(5,6,7,8-tetrahydronaphthalen-1-YL)thiophene-2-sulfonamide
CID 20923078
N-(2-Ethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926906
6-[5-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)thien-2-yl]pyridazin-3(2H)-one
CID 20923032
N-(3,4-dimethylphenyl)-4-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]butanamide
CID 25854489
N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923059
N-(2-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-propylthiophene-2-sulfonamide
CID 20939816
6-(5-{[4-(2,5-Dimethylphenyl)piperazin-1-YL]sulfonyl}thiophen-2-YL)-2,3-dihydropyridazin-3-one
CID 20923029

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939814) is N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is ZKYSJGKANSQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-4-5-13(10-12(11)2)20(3)25(22,23)17-9-7-15(24-17)14-6-8-16(21)19-18-14/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).