3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide

C15H16N2O3S — CID 17310054

IUPAC3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H16N2O3S/c18-15(17-12-13-5-4-9-16-11-13)8-10-21(19,20)14-6-2-1-3-7-14/h1-7,9,11H,8,10,12H2,(H,17,18)
InChIKeyWLHVXJOCQPPFPC-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.56
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide

3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 17310054) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID17310054
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H16N2O3S/c18-15(17-12-13-5-4-9-16-11-13)8-10-21(19,20)14-6-2-1-3-7-14/h1-7,9,11H,8,10,12H2,(H,17,18)
InChIKeyWLHVXJOCQPPFPC-UHFFFAOYSA-N
XLogP1.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
CID 110410639
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
CID 86930314
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273925
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
[3-(benzylamino)-3-oxopropyl] N-(pyridin-3-ylmethyl)carbamodithioate
CID 127028785
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-benzylacetamide
CID 2819433
4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 5181010
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide (CID 17310054) is 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCc1cccnc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is WLHVXJOCQPPFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(17-12-13-5-4-9-16-11-13)8-10-21(19,20)14-6-2-1-3-7-14/h1-7,9,11H,8,10,12H2,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 304.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 17310054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).