3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide

C16H19ClN2O5S — CID 110634106

IUPAC3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C16H19ClN2O5S/c17-11-2-1-3-14(8-11)25(22,23)7-6-15(20)18-9-13-10-19(12-4-5-12)16(21)24-13/h1-3,8,12-13H,4-7,9-10H2,(H,18,20)
InChIKeyGIELFBFPJOBNJP-UHFFFAOYSA-N
MW386.86 g/mol
LogP1.60
Rot. Bonds7

About 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide

3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide (PubChem CID 110634106) has the molecular formula C16H19ClN2O5S and a molecular weight of 386.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
PubChem CID110634106
Molecular FormulaC16H19ClN2O5S
Molecular Weight386.86 g/mol
Exact Mass386.07
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C16H19ClN2O5S/c17-11-2-1-3-14(8-11)25(22,23)7-6-15(20)18-9-13-10-19(12-4-5-12)16(21)24-13/h1-3,8,12-13H,4-7,9-10H2,(H,18,20)
InChIKeyGIELFBFPJOBNJP-UHFFFAOYSA-N
XLogP1.60
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide (CID 110634106) is 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide is O=C(CCS(=O)(=O)c1cccc(Cl)c1)NCC1CN(C2CC2)C(=O)O1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide?
The InChIKey is GIELFBFPJOBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5S/c17-11-2-1-3-14(8-11)25(22,23)7-6-15(20)18-9-13-10-19(12-4-5-12)16(21)24-13/h1-3,8,12-13H,4-7,9-10H2,(H,18,20).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide?
3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide has a molecular weight of 386.86 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide is sourced from PubChem (CID 110634106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).