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

C15H12ClN3O3S2 — CID 20923005

IUPACN-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C15H12ClN3O3S2/c1-9-2-3-10(16)8-12(9)19-24(21,22)15-7-5-13(23-15)11-4-6-14(20)18-17-11/h2-8,19H,1H3,(H,18,20)
InChIKeySLHAVNPAHVYYAN-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.26
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923005) has the molecular formula C15H12ClN3O3S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923005
Molecular FormulaC15H12ClN3O3S2
Molecular Weight381.87 g/mol
Exact Mass381.00
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C15H12ClN3O3S2/c1-9-2-3-10(16)8-12(9)19-24(21,22)15-7-5-13(23-15)11-4-6-14(20)18-17-11/h2-8,19H,1H3,(H,18,20)
InChIKeySLHAVNPAHVYYAN-UHFFFAOYSA-N
XLogP3.26
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923005) is N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is SLHAVNPAHVYYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S2/c1-9-2-3-10(16)8-12(9)19-24(21,22)15-7-5-13(23-15)11-4-6-14(20)18-17-11/h2-8,19H,1H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 381.87 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).