N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide

C14H20N2O8S — CID 166628530

IUPACN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O8S/c1-23-14-10(12(19)11(18)9(6-17)24-14)16-13(20)7-2-4-8(5-3-7)25(15,21)22/h2-5,9-12,14,17-19H,6H2,1H3,(H,16,20)(H2,15,21,22)/t9-,10-,11-,12-,14-/m1/s1
InChIKeyMGZMRMPXXPSDEZ-CBLPJQPBSA-N
MW376.39 g/mol
LogP-2.48
Rot. Bonds5

About N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide (PubChem CID 166628530) has the molecular formula C14H20N2O8S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide
PubChem CID166628530
Molecular FormulaC14H20N2O8S
Molecular Weight376.39 g/mol
Exact Mass376.09
IUPAC NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O8S/c1-23-14-10(12(19)11(18)9(6-17)24-14)16-13(20)7-2-4-8(5-3-7)25(15,21)22/h2-5,9-12,14,17-19H,6H2,1H3,(H,16,20)(H2,15,21,22)/t9-,10-,11-,12-,14-/m1/s1
InChIKeyMGZMRMPXXPSDEZ-CBLPJQPBSA-N
XLogP-2.48
TPSA168.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide (CID 166628530) is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide is CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide?
The InChIKey is MGZMRMPXXPSDEZ-CBLPJQPBSA-N. The full InChI is InChI=1S/C14H20N2O8S/c1-23-14-10(12(19)11(18)9(6-17)24-14)16-13(20)7-2-4-8(5-3-7)25(15,21)22/h2-5,9-12,14,17-19H,6H2,1H3,(H,16,20)(H2,15,21,22)/t9-,10-,11-,12-,14-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide?
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide has a molecular weight of 376.39 g/mol, XLogP of -2.48, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 166628530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).