2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

C21H24Cl2N2O5S — CID 53382660

IUPAC2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-6,8,10,15,19-20,25-26H,7,9,11-13H2,(H,24,27)/t15-,19-,20-/m1/s1
InChIKeyQGJJAVUYJKYDOR-CDHQVMDDSA-N
MW487.41 g/mol
LogP2.89
Rot. Bonds8

About 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (PubChem CID 53382660) has the molecular formula C21H24Cl2N2O5S and a molecular weight of 487.41 g/mol. Its IUPAC name is 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
PubChem CID53382660
Molecular FormulaC21H24Cl2N2O5S
Molecular Weight487.41 g/mol
Exact Mass486.08
IUPAC Name2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILESO=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-6,8,10,15,19-20,25-26H,7,9,11-13H2,(H,24,27)/t15-,19-,20-/m1/s1
InChIKeyQGJJAVUYJKYDOR-CDHQVMDDSA-N
XLogP2.89
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CID 53382660) is 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide is O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
The InChIKey is QGJJAVUYJKYDOR-CDHQVMDDSA-N. The full InChI is InChI=1S/C21H24Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-6,8,10,15,19-20,25-26H,7,9,11-13H2,(H,24,27)/t15-,19-,20-/m1/s1.
What are the key properties of 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide?
2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide has a molecular weight of 487.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 53382660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).