2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide

C19H16ClN3O3S — CID 41213122

IUPAC2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nn1
InChIInChI=1S/C19H16ClN3O3S/c1-2-27(25,26)18-12-11-17(22-23-18)13-7-9-14(10-8-13)21-19(24)15-5-3-4-6-16(15)20/h3-12H,2H2,1H3,(H,21,24)
InChIKeyAHKMFJBOFAQKNI-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.84
Rot. Bonds5

About 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide

2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide (PubChem CID 41213122) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
PubChem CID41213122
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nn1
InChIInChI=1S/C19H16ClN3O3S/c1-2-27(25,26)18-12-11-17(22-23-18)13-7-9-14(10-8-13)21-19(24)15-5-3-4-6-16(15)20/h3-12H,2H2,1H3,(H,21,24)
InChIKeyAHKMFJBOFAQKNI-UHFFFAOYSA-N
XLogP3.84
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide (CID 41213122) is 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide is CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nn1.
What is the InChIKey of 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is AHKMFJBOFAQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-2-27(25,26)18-12-11-17(22-23-18)13-7-9-14(10-8-13)21-19(24)15-5-3-4-6-16(15)20/h3-12H,2H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 401.88 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41213122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).