3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide

C18H15N3O4S — CID 35543957

IUPAC3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C18H15N3O4S/c19-11-14-2-1-3-16(10-14)26(24,25)20-15-6-4-13(5-7-15)12-21-17(22)8-9-18(21)23/h1-7,10,20H,8-9,12H2
InChIKeyOWTKGILSIHVJLE-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.01
Rot. Bonds5

About 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide

3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 35543957) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
PubChem CID35543957
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C18H15N3O4S/c19-11-14-2-1-3-16(10-14)26(24,25)20-15-6-4-13(5-7-15)12-21-17(22)8-9-18(21)23/h1-7,10,20H,8-9,12H2
InChIKeyOWTKGILSIHVJLE-UHFFFAOYSA-N
XLogP2.01
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543016
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (CID 35543957) is 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is OWTKGILSIHVJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c19-11-14-2-1-3-16(10-14)26(24,25)20-15-6-4-13(5-7-15)12-21-17(22)8-9-18(21)23/h1-7,10,20H,8-9,12H2.
What are the key properties of 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 369.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 35543957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).