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

C19H19N3O4S — CID 122246941

IUPACN-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cncc(C3CC3)c2)cc1
InChIInChI=1S/C19H19N3O4S/c23-18-7-8-19(24)22(18)16-3-5-17(6-4-16)27(25,26)21-11-13-9-15(12-20-10-13)14-1-2-14/h3-6,9-10,12,14,21H,1-2,7-8,11H2
InChIKeyDXZBTGNDBKBZRX-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.09
Rot. Bonds6

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

N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 122246941) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID122246941
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cncc(C3CC3)c2)cc1
InChIInChI=1S/C19H19N3O4S/c23-18-7-8-19(24)22(18)16-3-5-17(6-4-16)27(25,26)21-11-13-9-15(12-20-10-13)14-1-2-14/h3-6,9-10,12,14,21H,1-2,7-8,11H2
InChIKeyDXZBTGNDBKBZRX-UHFFFAOYSA-N
XLogP2.09
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.09
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-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 100540260
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(furan-3-yl)phenyl]methyl]benzenesulfonamide
CID 126855012
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122252851
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122354462
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
N-[(5-cyclopropyl-3-pyridinyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122246938
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 873017

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 122246941) is N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cncc(C3CC3)c2)cc1.
What is the InChIKey of N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is DXZBTGNDBKBZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-18-7-8-19(24)22(18)16-3-5-17(6-4-16)27(25,26)21-11-13-9-15(12-20-10-13)14-1-2-14/h3-6,9-10,12,14,21H,1-2,7-8,11H2.
What are the key properties of N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-3-pyridinyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 122246941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).