3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide

C17H18N2O4S — CID 110294186

IUPAC3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CN(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C17H18N2O4S/c1-13-6-5-9-16(10-13)24(21,22)18-11-15-12-19(17(20)23-15)14-7-3-2-4-8-14/h2-10,15,18H,11-12H2,1H3
InChIKeyBPDDIKHNMRTNTA-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.30
Rot. Bonds5

About 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide

3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide (PubChem CID 110294186) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
PubChem CID110294186
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CN(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C17H18N2O4S/c1-13-6-5-9-16(10-13)24(21,22)18-11-15-12-19(17(20)23-15)14-7-3-2-4-8-14/h2-10,15,18H,11-12H2,1H3
InChIKeyBPDDIKHNMRTNTA-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
4-ethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 110327854
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
1-(3-methylphenyl)-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327845
1-(2-methylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110294188
6-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyridine-3-sulfonamide
CID 110310960
2-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-1,3-dihydroindole-5-sulfonamide
CID 110294197
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40839197
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
CID 110328145
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 16922546
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110311011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide (CID 110294186) is 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2CN(c3ccccc3)C(=O)O2)c1.
What is the InChIKey of 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The InChIKey is BPDDIKHNMRTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-13-6-5-9-16(10-13)24(21,22)18-11-15-12-19(17(20)23-15)14-7-3-2-4-8-14/h2-10,15,18H,11-12H2,1H3.
What are the key properties of 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110294186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).