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

C17H17N3O3S — CID 10521320

IUPAC2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2N)c1C
InChIInChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-10-6-4-8-14(16)13-7-3-5-9-15(13)18/h3-10,20H,18H2,1-2H3
InChIKeyGDARDKVQKGHHRI-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.34
Rot. Bonds4

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

2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 10521320) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID10521320
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2N)c1C
InChIInChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-10-6-4-8-14(16)13-7-3-5-9-15(13)18/h3-10,20H,18H2,1-2H3
InChIKeyGDARDKVQKGHHRI-UHFFFAOYSA-N
XLogP3.34
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 10521320) is 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2N)c1C.
What is the InChIKey of 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is GDARDKVQKGHHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-10-6-4-8-14(16)13-7-3-5-9-15(13)18/h3-10,20H,18H2,1-2H3.
What are the key properties of 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10521320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).