N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide

C19H21ClN2O6S — CID 118648781

IUPACN-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccccc2Cl)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H21ClN2O6S/c20-14-8-4-5-9-16(14)29(26,27)22-10-15-17(23)19(25,12-28-15)11-21-18(24)13-6-2-1-3-7-13/h1-9,15,17,22-23,25H,10-12H2,(H,21,24)/t15-,17-,19+/m1/s1
InChIKeyLYEKPAZTYARKGM-SUMDDJOVSA-N
MW440.91 g/mol
LogP0.54
Rot. Bonds7

About N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide

N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (PubChem CID 118648781) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
PubChem CID118648781
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC NameN-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccccc2Cl)[C@H]1O)c1ccccc1
InChIInChI=1S/C19H21ClN2O6S/c20-14-8-4-5-9-16(14)29(26,27)22-10-15-17(23)19(25,12-28-15)11-21-18(24)13-6-2-1-3-7-13/h1-9,15,17,22-23,25H,10-12H2,(H,21,24)/t15-,17-,19+/m1/s1
InChIKeyLYEKPAZTYARKGM-SUMDDJOVSA-N
XLogP0.54
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide (CID 118648781) is N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is O=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccccc2Cl)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
The InChIKey is LYEKPAZTYARKGM-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c20-14-8-4-5-9-16(14)29(26,27)22-10-15-17(23)19(25,12-28-15)11-21-18(24)13-6-2-1-3-7-13/h1-9,15,17,22-23,25H,10-12H2,(H,21,24)/t15-,17-,19+/m1/s1.
What are the key properties of N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide?
N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide has a molecular weight of 440.91 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R,5R)-5-[[(2-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 118648781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).