N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide

C19H16N2O4S — CID 144935099

IUPACN-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C19H16N2O4S/c22-19(16-6-2-1-3-7-16)21-26(23,24)18-10-8-17(9-11-18)25-14-15-5-4-12-20-13-15/h1-13H,14H2,(H,21,22)
InChIKeyKCUDFRXNFFDRDA-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.78
Rot. Bonds6

About N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide

N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide (PubChem CID 144935099) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
PubChem CID144935099
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C19H16N2O4S/c22-19(16-6-2-1-3-7-16)21-26(23,24)18-10-8-17(9-11-18)25-14-15-5-4-12-20-13-15/h1-13H,14H2,(H,21,22)
InChIKeyKCUDFRXNFFDRDA-UHFFFAOYSA-N
XLogP2.78
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 142724613
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide?
The IUPAC name of N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide (CID 144935099) is N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide?
The canonical SMILES for N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide?
The InChIKey is KCUDFRXNFFDRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(16-6-2-1-3-7-16)21-26(23,24)18-10-8-17(9-11-18)25-14-15-5-4-12-20-13-15/h1-13H,14H2,(H,21,22).
What are the key properties of N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide?
N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide is sourced from PubChem (CID 144935099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).