1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide

C14H19ClN2O4S — CID 110726039

IUPAC1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
SMILESCC(C)N1CC(CNS(=O)(=O)Cc2ccccc2Cl)OC1=O
InChIInChI=1S/C14H19ClN2O4S/c1-10(2)17-8-12(21-14(17)18)7-16-22(19,20)9-11-5-3-4-6-13(11)15/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyMAGHOXQPBUJINB-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.99
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide (PubChem CID 110726039) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
PubChem CID110726039
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
SMILESCC(C)N1CC(CNS(=O)(=O)Cc2ccccc2Cl)OC1=O
InChIInChI=1S/C14H19ClN2O4S/c1-10(2)17-8-12(21-14(17)18)7-16-22(19,20)9-11-5-3-4-6-13(11)15/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyMAGHOXQPBUJINB-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide (CID 110726039) is 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide is CC(C)N1CC(CNS(=O)(=O)Cc2ccccc2Cl)OC1=O.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
The InChIKey is MAGHOXQPBUJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-10(2)17-8-12(21-14(17)18)7-16-22(19,20)9-11-5-3-4-6-13(11)15/h3-6,10,12,16H,7-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110726039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).