N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C17H13ClFN3O3S — CID 23611791

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN3O3S/c1-10-2-3-11(15-6-7-17(23)21-20-15)8-16(10)26(24,25)22-12-4-5-14(19)13(18)9-12/h2-9,22H,1H3,(H,21,23)
InChIKeyIELLEYGFYUPWID-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.34
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 23611791) has the molecular formula C17H13ClFN3O3S and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID23611791
Molecular FormulaC17H13ClFN3O3S
Molecular Weight393.83 g/mol
Exact Mass393.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN3O3S/c1-10-2-3-11(15-6-7-17(23)21-20-15)8-16(10)26(24,25)22-12-4-5-14(19)13(18)9-12/h2-9,22H,1H3,(H,21,23)
InChIKeyIELLEYGFYUPWID-UHFFFAOYSA-N
XLogP3.34
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 23611791) is N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is IELLEYGFYUPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S/c1-10-2-3-11(15-6-7-17(23)21-20-15)8-16(10)26(24,25)22-12-4-5-14(19)13(18)9-12/h2-9,22H,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 393.83 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 23611791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).