N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide

C13H12ClN3O3S — CID 56805495

IUPACN-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-21(19,20)8-9-2-4-10(5-3-9)13(18)15-12-7-6-11(14)16-17-12/h2-7H,8H2,1H3,(H,15,17,18)
InChIKeyAMQHCZPDSVLCOQ-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.93
Rot. Bonds4

About N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide

N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 56805495) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide
PubChem CID56805495
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC NameN-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-21(19,20)8-9-2-4-10(5-3-9)13(18)15-12-7-6-11(14)16-17-12/h2-7H,8H2,1H3,(H,15,17,18)
InChIKeyAMQHCZPDSVLCOQ-UHFFFAOYSA-N
XLogP1.93
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
CID 115608608
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
N-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115608654
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 27054975
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide (CID 56805495) is N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is AMQHCZPDSVLCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-21(19,20)8-9-2-4-10(5-3-9)13(18)15-12-7-6-11(14)16-17-12/h2-7H,8H2,1H3,(H,15,17,18).
What are the key properties of N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide?
N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 325.78 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 56805495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).