N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

C19H15N3O5S — CID 613860

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C19H15N3O5S/c1-11-12(2)20-27-17(11)21-28(25,26)14-9-7-13(8-10-14)22-18(23)15-5-3-4-6-16(15)19(22)24/h3-10,21H,1-2H3
InChIKeyKUVITUNAMCSJJV-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.89
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 613860) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID613860
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C19H15N3O5S/c1-11-12(2)20-27-17(11)21-28(25,26)14-9-7-13(8-10-14)22-18(23)15-5-3-4-6-16(15)19(22)24/h3-10,21H,1-2H3
InChIKeyKUVITUNAMCSJJV-UHFFFAOYSA-N
XLogP2.89
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 613860) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is KUVITUNAMCSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c1-11-12(2)20-27-17(11)21-28(25,26)14-9-7-13(8-10-14)22-18(23)15-5-3-4-6-16(15)19(22)24/h3-10,21H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 397.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 613860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).