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

C12H12N2O4S — CID 106913000

IUPACN-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C12H12N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-5-3-4-10(6-11)7-15/h3-7,14H,1-2H3
InChIKeyFAULNEQRZZMJFT-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.90
Rot. Bonds4

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

N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 106913000) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID106913000
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C12H12N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-5-3-4-10(6-11)7-15/h3-7,14H,1-2H3
InChIKeyFAULNEQRZZMJFT-UHFFFAOYSA-N
XLogP1.90
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106913044
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 110732544
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050
N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112988188
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide
CID 3314791
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 106913000) is N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cccc(C=O)c1.
What is the InChIKey of N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is FAULNEQRZZMJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-8-12(9(2)18-13-8)19(16,17)14-11-5-3-4-10(6-11)7-15/h3-7,14H,1-2H3.
What are the key properties of N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 106913000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).