4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one

C17H17NO4S — CID 11782501

IUPAC4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC(c3ccccc3)C2C)cc1
InChIInChI=1S/C17H17NO4S/c1-12-8-10-15(11-9-12)23(20,21)18-13(2)16(22-17(18)19)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3
InChIKeyNIKVWKOJMLUCOE-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.27
Rot. Bonds3

About 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one

4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11782501) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11782501
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC(c3ccccc3)C2C)cc1
InChIInChI=1S/C17H17NO4S/c1-12-8-10-15(11-9-12)23(20,21)18-13(2)16(22-17(18)19)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3
InChIKeyNIKVWKOJMLUCOE-UHFFFAOYSA-N
XLogP3.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzenesulfonamide, N-methyl-N-[(2S)-4-[4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-1-piperidinyl]-2-phenylbutyl]-
CID 5275832
Benzenesulfonamide, N-methyl-N-[(2S)-4-[4-[(4R,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-1-piperidinyl]-2-phenylbutyl]-
CID 5275833
N-Methyl-N-{(S)-4-[4-((R)-2-oxo-5-phenyl-oxazolidin-3-yl)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide
CID 6320579
Benzyl 1-[(4-methylphenyl)sulfonyl]prolinate
CID 2968798
N-Methyl-N-{(S)-4-[4-((S)-2-oxo-5-phenyl-oxazolidin-3-yl)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide
CID 6320580
benzyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate
CID 53384063
benzyl 2-[(2S,4S)-4-benzyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]acetate
CID 53384073
benzyl 2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]acetate
CID 53382884
Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate
CID 390241
1-Benzyl 2-methyl 4-(((4-methylphenyl)sulfonyl)oxy)-1,2-pyrrolidinedicarboxylate
CID 286566
(2S)-1-(4-methylphenyl)sulfonyl-2-(phenylmethoxymethoxymethyl)pyrrolidine
CID 171353800
Benzyl 4-(tosyloxy)piperidine-1-carboxylate
CID 332212

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (CID 11782501) is 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)OC(c3ccccc3)C2C)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NIKVWKOJMLUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12-8-10-15(11-9-12)23(20,21)18-13(2)16(22-17(18)19)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3.
What are the key properties of 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 331.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11782501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).