N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide

C27H23N3O3S — CID 25466968

IUPACN,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide
SMILESN#Cc1cccc(Cn2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2=O)c1
InChIInChI=1S/C27H23N3O3S/c28-17-24-12-7-13-25(16-24)18-29-21-26(14-15-27(29)31)34(32,33)30(19-22-8-3-1-4-9-22)20-23-10-5-2-6-11-23/h1-16,21H,18-20H2
InChIKeySQMZXQPHLNFWDG-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.16
Rot. Bonds8

About N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide

N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide (PubChem CID 25466968) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide
PubChem CID25466968
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC NameN,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide
SMILESN#Cc1cccc(Cn2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2=O)c1
InChIInChI=1S/C27H23N3O3S/c28-17-24-12-7-13-25(16-24)18-29-21-26(14-15-27(29)31)34(32,33)30(19-22-8-3-1-4-9-22)20-23-10-5-2-6-11-23/h1-16,21H,18-20H2
InChIKeySQMZXQPHLNFWDG-UHFFFAOYSA-N
XLogP4.16
TPSA83.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 46511196
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
3-[(dibenzylamino)methyl]benzonitrile
CID 39161516
2-[5-(dibenzylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2526591
1-benzyl-5-(2-phenylethynyl)pyridin-2-one
CID 69443442
ethyl 2-[benzyl-(3-cyanophenyl)sulfonylamino]acetate
CID 3854313
N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 60600410
1-[(3-cyanophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902720
3-[[3-oxo-7-(3-phenylprop-1-ynyl)-2,6-naphthyridin-2-yl]methyl]benzonitrile
CID 22268242
1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26570254

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide (CID 25466968) is N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide is N#Cc1cccc(Cn2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2=O)c1.
What is the InChIKey of N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is SQMZXQPHLNFWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3S/c28-17-24-12-7-13-25(16-24)18-29-21-26(14-15-27(29)31)34(32,33)30(19-22-8-3-1-4-9-22)20-23-10-5-2-6-11-23/h1-16,21H,18-20H2.
What are the key properties of N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide?
N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 469.57 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 25466968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).