N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide

C20H23ClN2O6S — CID 134466635

IUPACN-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide
SMILESC[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@H]1O
InChIInChI=1S/C20H23ClN2O6S/c1-20(12-23(26)19(25)14-5-3-2-4-6-14)13-29-17(18(20)24)11-22-30(27,28)16-9-7-15(21)8-10-16/h2-10,17-18,22,24,26H,11-13H2,1H3/t17-,18-,20-/m1/s1
InChIKeyRPIFDLASLGPORF-QWFCFKBJSA-N
MW454.93 g/mol
LogP1.92
Rot. Bonds7

About N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide

N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide (PubChem CID 134466635) has the molecular formula C20H23ClN2O6S and a molecular weight of 454.93 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide
PubChem CID134466635
Molecular FormulaC20H23ClN2O6S
Molecular Weight454.93 g/mol
Exact Mass454.10
IUPAC NameN-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide
SMILESC[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@H]1O
InChIInChI=1S/C20H23ClN2O6S/c1-20(12-23(26)19(25)14-5-3-2-4-6-14)13-29-17(18(20)24)11-22-30(27,28)16-9-7-15(21)8-10-16/h2-10,17-18,22,24,26H,11-13H2,1H3/t17-,18-,20-/m1/s1
InChIKeyRPIFDLASLGPORF-QWFCFKBJSA-N
XLogP1.92
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide (CID 134466635) is N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide is C[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@H]1O.
What is the InChIKey of N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide?
The InChIKey is RPIFDLASLGPORF-QWFCFKBJSA-N. The full InChI is InChI=1S/C20H23ClN2O6S/c1-20(12-23(26)19(25)14-5-3-2-4-6-14)13-29-17(18(20)24)11-22-30(27,28)16-9-7-15(21)8-10-16/h2-10,17-18,22,24,26H,11-13H2,1H3/t17-,18-,20-/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide?
N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide has a molecular weight of 454.93 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 134466635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).