4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide

C19H18N2O4S — CID 102582929

IUPAC4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C#CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-15-7-9-17(10-8-15)26(23,24)20-18(16-5-3-2-4-6-16)11-12-21-13-14-25-19(21)22/h2-10,18,20H,13-14H2,1H3
InChIKeyGWZJLQWHFKYQDG-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.43
Rot. Bonds4

About 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide

4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide (PubChem CID 102582929) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
PubChem CID102582929
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C#CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-15-7-9-17(10-8-15)26(23,24)20-18(16-5-3-2-4-6-16)11-12-21-13-14-25-19(21)22/h2-10,18,20H,13-14H2,1H3
InChIKeyGWZJLQWHFKYQDG-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
CID 102582925
N-[(1S)-1,5-diphenylpent-2-ynyl]-4-methylbenzenesulfonamide
CID 102410746
4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 101185105
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]-4-methylbenzenesulfonamide
CID 23649829
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[4-(benzotriazol-1-yl)-1-phenylbut-2-ynyl]-4-methylbenzenesulfonamide
CID 3783055
N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide
CID 102313854
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 132990503

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide (CID 102582929) is 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C#CN2CCOC2=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
The InChIKey is GWZJLQWHFKYQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-15-7-9-17(10-8-15)26(23,24)20-18(16-5-3-2-4-6-16)11-12-21-13-14-25-19(21)22/h2-10,18,20H,13-14H2,1H3.
What are the key properties of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 102582929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).