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

C17H17N3O3S2 — CID 20939813

IUPACN-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H17N3O3S2/c1-3-12-6-4-5-7-14(12)20(2)25(22,23)17-11-9-15(24-17)13-8-10-16(21)19-18-13/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyKWSJHCVMHNWYLS-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.89
Rot. Bonds5

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

N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939813) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939813
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H17N3O3S2/c1-3-12-6-4-5-7-14(12)20(2)25(22,23)17-11-9-15(24-17)13-8-10-16(21)19-18-13/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyKWSJHCVMHNWYLS-UHFFFAOYSA-N
XLogP2.89
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939813) is N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CCc1ccccc1N(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is KWSJHCVMHNWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-3-12-6-4-5-7-14(12)20(2)25(22,23)17-11-9-15(24-17)13-8-10-16(21)19-18-13/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).