(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide

C16H18ClN3O4S — CID 128994987

IUPAC(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)/C=C/c3ccccc3Cl)O2)n1
InChIInChI=1S/C16H18ClN3O4S/c1-11-19-16(24-20-11)15-7-6-13(23-15)10-18-25(21,22)9-8-12-4-2-3-5-14(12)17/h2-5,8-9,13,15,18H,6-7,10H2,1H3/b9-8+/t13-,15+/m1/s1
InChIKeyKPOXQLVCKGWIJV-HOMMJUPQSA-N
MW383.86 g/mol
LogP2.84
Rot. Bonds6

About (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide

(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide (PubChem CID 128994987) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide
PubChem CID128994987
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)/C=C/c3ccccc3Cl)O2)n1
InChIInChI=1S/C16H18ClN3O4S/c1-11-19-16(24-20-11)15-7-6-13(23-15)10-18-25(21,22)9-8-12-4-2-3-5-14(12)17/h2-5,8-9,13,15,18H,6-7,10H2,1H3/b9-8+/t13-,15+/m1/s1
InChIKeyKPOXQLVCKGWIJV-HOMMJUPQSA-N
XLogP2.84
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide (CID 128994987) is (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide is Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)/C=C/c3ccccc3Cl)O2)n1.
What is the InChIKey of (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide?
The InChIKey is KPOXQLVCKGWIJV-HOMMJUPQSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-11-19-16(24-20-11)15-7-6-13(23-15)10-18-25(21,22)9-8-12-4-2-3-5-14(12)17/h2-5,8-9,13,15,18H,6-7,10H2,1H3/b9-8+/t13-,15+/m1/s1.
What are the key properties of (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide?
(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide has a molecular weight of 383.86 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 128994987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).