N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide

C19H17N3O4S — CID 2322442

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(N3Cc4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C19H17N3O4S/c1-12-13(2)20-26-18(12)21-27(24,25)16-9-7-15(8-10-16)22-11-14-5-3-4-6-17(14)19(22)23/h3-10,21H,11H2,1-2H3
InChIKeyGTRUGNXOYOCDPI-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.25
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide (PubChem CID 2322442) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide
PubChem CID2322442
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(N3Cc4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C19H17N3O4S/c1-12-13(2)20-26-18(12)21-27(24,25)16-9-7-15(8-10-16)22-11-14-5-3-4-6-17(14)19(22)23/h3-10,21H,11H2,1-2H3
InChIKeyGTRUGNXOYOCDPI-UHFFFAOYSA-N
XLogP3.25
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide (CID 2322442) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(N3Cc4ccccc4C3=O)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide?
The InChIKey is GTRUGNXOYOCDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12-13(2)20-26-18(12)21-27(24,25)16-9-7-15(8-10-16)22-11-14-5-3-4-6-17(14)19(22)23/h3-10,21H,11H2,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 2322442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).