N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide

C20H18N2O3S — CID 71734763

IUPACN-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-7,9-12,14-15H,8,13H2,(H,22,23)
InChIKeyZBBMPYVJMJCAIO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.49
Rot. Bonds6

About N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide

N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 71734763) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide
PubChem CID71734763
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-7,9-12,14-15H,8,13H2,(H,22,23)
InChIKeyZBBMPYVJMJCAIO-UHFFFAOYSA-N
XLogP3.49
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1s,2s)-N-[4-(Phenylsulfonyl)phenyl]-2-(Pyridin-3-Yl)cyclopropanecarboxamide
CID 71720911
trans-(1S,2S)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76072411
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7g
CID 44520903
Sulfonamide deriv., 7h
CID 44520904
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
4-(Benzyl-methanesulfonyl-amino)-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
CID 2262896

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide (CID 71734763) is N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is ZBBMPYVJMJCAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-7,9-12,14-15H,8,13H2,(H,22,23).
What are the key properties of N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide?
N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 366.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 71734763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).