4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C17H17N3O4S — CID 43853556

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cccnc2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C17H17N3O4S/c1-12-9-14(4-5-15(12)20-16(21)6-7-17(20)22)25(23,24)19-11-13-3-2-8-18-10-13/h2-5,8-10,19H,6-7,11H2,1H3
InChIKeyROQPCJVFQGGVBC-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.52
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 43853556) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID43853556
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cccnc2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C17H17N3O4S/c1-12-9-14(4-5-15(12)20-16(21)6-7-17(20)22)25(23,24)19-11-13-3-2-8-18-10-13/h2-5,8-10,19H,6-7,11H2,1H3
InChIKeyROQPCJVFQGGVBC-UHFFFAOYSA-N
XLogP1.52
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.52
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

4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide
CID 56731565
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43853598
2-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 46769247
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
CID 53105744
3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
CID 7475220

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 43853556) is 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1N1C(=O)CCC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ROQPCJVFQGGVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-9-14(4-5-15(12)20-16(21)6-7-17(20)22)25(23,24)19-11-13-3-2-8-18-10-13/h2-5,8-10,19H,6-7,11H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43853556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).