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

C16H15N3O3S2 — CID 20923070

IUPACN-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-11-3-5-12(6-4-11)19(2)24(21,22)16-10-8-14(23-16)13-7-9-15(20)18-17-13/h3-10H,1-2H3,(H,18,20)
InChIKeyCEKVGJNNJDDUBF-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.63
Rot. Bonds4

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

N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923070) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923070
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-11-3-5-12(6-4-11)19(2)24(21,22)16-10-8-14(23-16)13-7-9-15(20)18-17-13/h3-10H,1-2H3,(H,18,20)
InChIKeyCEKVGJNNJDDUBF-UHFFFAOYSA-N
XLogP2.63
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923070) is N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is CEKVGJNNJDDUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-11-3-5-12(6-4-11)19(2)24(21,22)16-10-8-14(23-16)13-7-9-15(20)18-17-13/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 361.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).