(E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide

C17H15ClN2O4S — CID 38941325

IUPAC(E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide
SMILESO=C1OCCN1c1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O4S/c18-14-6-4-13(5-7-14)8-11-25(22,23)19-15-2-1-3-16(12-15)20-9-10-24-17(20)21/h1-8,11-12,19H,9-10H2/b11-8+
InChIKeyHKKIGQQALGVKBE-DHZHZOJOSA-N
MW378.84 g/mol
LogP3.71
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide (PubChem CID 38941325) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide
PubChem CID38941325
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name(E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide
SMILESO=C1OCCN1c1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O4S/c18-14-6-4-13(5-7-14)8-11-25(22,23)19-15-2-1-3-16(12-15)20-9-10-24-17(20)21/h1-8,11-12,19H,9-10H2/b11-8+
InChIKeyHKKIGQQALGVKBE-DHZHZOJOSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide (CID 38941325) is (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide is O=C1OCCN1c1cccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide?
The InChIKey is HKKIGQQALGVKBE-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c18-14-6-4-13(5-7-14)8-11-25(22,23)19-15-2-1-3-16(12-15)20-9-10-24-17(20)21/h1-8,11-12,19H,9-10H2/b11-8+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethenesulfonamide is sourced from PubChem (CID 38941325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).