N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide

C14H14N2O4S — CID 146154896

IUPACN-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C14H14N2O4S/c1-21(18,19)16-14(17)12-5-2-6-13(8-12)20-10-11-4-3-7-15-9-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyPALDNCXLLVATHX-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.35
Rot. Bonds5

About N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide

N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 146154896) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID146154896
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C14H14N2O4S/c1-21(18,19)16-14(17)12-5-2-6-13(8-12)20-10-11-4-3-7-15-9-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyPALDNCXLLVATHX-UHFFFAOYSA-N
XLogP1.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55960984
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679
N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
CID 144935099

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide (CID 146154896) is N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide is CS(=O)(=O)NC(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is PALDNCXLLVATHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-21(18,19)16-14(17)12-5-2-6-13(8-12)20-10-11-4-3-7-15-9-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide?
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 306.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 146154896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).