3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

C26H23N3O3S2 — CID 34424924

IUPAC3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H23N3O3S2/c30-26(29-23-11-13-24(14-12-23)33-19-21-8-5-15-27-17-21)22-9-4-10-25(16-22)34(31,32)28-18-20-6-2-1-3-7-20/h1-17,28H,18-19H2,(H,29,30)
InChIKeyJHCLHEUUPKVBQY-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.10
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 34424924) has the molecular formula C26H23N3O3S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID34424924
Molecular FormulaC26H23N3O3S2
Molecular Weight489.62 g/mol
Exact Mass489.12
IUPAC Name3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H23N3O3S2/c30-26(29-23-11-13-24(14-12-23)33-19-21-8-5-15-27-17-21)22-9-4-10-25(16-22)34(31,32)28-18-20-6-2-1-3-7-20/h1-17,28H,18-19H2,(H,29,30)
InChIKeyJHCLHEUUPKVBQY-UHFFFAOYSA-N
XLogP5.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2564609
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 36542645
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
CID 46672069
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 38885627
4-methoxy-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2203728
3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712137
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (CID 34424924) is 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is JHCLHEUUPKVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S2/c30-26(29-23-11-13-24(14-12-23)33-19-21-8-5-15-27-17-21)22-9-4-10-25(16-22)34(31,32)28-18-20-6-2-1-3-7-20/h1-17,28H,18-19H2,(H,29,30).
What are the key properties of 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 489.62 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 34424924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).