N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H11N3O3S — CID 2812270

IUPACN-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H11N3O3S/c1-8-12(9(2)18-14-8)19(16,17)15-11-5-3-10(7-13)4-6-11/h3-6,15H,1-2H3
InChIKeyHCBXBBPQFZKJFP-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.96
Rot. Bonds3

About N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 2812270) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID2812270
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H11N3O3S/c1-8-12(9(2)18-14-8)19(16,17)15-11-5-3-10(7-13)4-6-11/h3-6,15H,1-2H3
InChIKeyHCBXBBPQFZKJFP-UHFFFAOYSA-N
XLogP1.96
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 2812270) is N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HCBXBBPQFZKJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-8-12(9(2)18-14-8)19(16,17)15-11-5-3-10(7-13)4-6-11/h3-6,15H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2812270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).