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

C12H12N2O4S — CID 167119396

IUPACN,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide
SMILESC=C1N=C(c2cccc(S(=O)(=O)N(C)C)c2)OC1=O
InChIInChI=1S/C12H12N2O4S/c1-8-12(15)18-11(13-8)9-5-4-6-10(7-9)19(16,17)14(2)3/h4-7H,1H2,2-3H3
InChIKeySVDCJGIQPKHOCJ-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.75
Rot. Bonds3

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

N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 167119396) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID167119396
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide
SMILESC=C1N=C(c2cccc(S(=O)(=O)N(C)C)c2)OC1=O
InChIInChI=1S/C12H12N2O4S/c1-8-12(15)18-11(13-8)9-5-4-6-10(7-9)19(16,17)14(2)3/h4-7H,1H2,2-3H3
InChIKeySVDCJGIQPKHOCJ-UHFFFAOYSA-N
XLogP0.75
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 97353930
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 126809949
N,N-diethyl-3-[(4Z)-4-[(3-methoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]benzenesulfonamide
CID 25469025
N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide
CID 58051455
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
CID 71291795
CID 71291795
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
CID 58265706
3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
CID 53224585
methyl 4-[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 2339831

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide (CID 167119396) is N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide is C=C1N=C(c2cccc(S(=O)(=O)N(C)C)c2)OC1=O.
What is the InChIKey of N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is SVDCJGIQPKHOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-8-12(15)18-11(13-8)9-5-4-6-10(7-9)19(16,17)14(2)3/h4-7H,1H2,2-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide?
N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 167119396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).