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

C16H24N2O8S — CID 166627098

IUPACN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide
SMILESCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H24N2O8S/c1-2-7-25-16-12(14(21)13(20)11(8-19)26-16)18-15(22)9-3-5-10(6-4-9)27(17,23)24/h3-6,11-14,16,19-21H,2,7-8H2,1H3,(H,18,22)(H2,17,23,24)/t11-,12-,13-,14-,16-/m1/s1
InChIKeyUTTZMTALGLMYHD-UTGUJQJDSA-N
MW404.44 g/mol
LogP-1.70
Rot. Bonds7

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

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide (PubChem CID 166627098) has the molecular formula C16H24N2O8S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide
PubChem CID166627098
Molecular FormulaC16H24N2O8S
Molecular Weight404.44 g/mol
Exact Mass404.13
IUPAC NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide
SMILESCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H24N2O8S/c1-2-7-25-16-12(14(21)13(20)11(8-19)26-16)18-15(22)9-3-5-10(6-4-9)27(17,23)24/h3-6,11-14,16,19-21H,2,7-8H2,1H3,(H,18,22)(H2,17,23,24)/t11-,12-,13-,14-,16-/m1/s1
InChIKeyUTTZMTALGLMYHD-UTGUJQJDSA-N
XLogP-1.70
TPSA168.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 5-1.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide with MolForge

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Related Compounds

N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide
CID 164609995
4-sulfamoyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164613293
4-sulfamoyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164619991
4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide
CID 164624530
4-sulfamoyl-N-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164625566
4-sulfamoyl-N-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]benzamide
CID 168285884
4-sulfamoyl-N-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168291977
N-[(3R,4R,5S,6R)-6-(benzenesulfonamidomethyl)-2,4,5-trihydroxyoxan-3-yl]-3-phenylbenzamide
CID 57411333
2-Deoxy-2-((hydroxy(phenyl)methylidene)amino)hexopyranose
CID 253013
N-[(3R,4R,5S,6R)-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-trihydroxyoxan-3-yl]-3-phenylbenzamide
CID 127051362
4-sulfamoyl-N-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]benzamide
CID 164616870
methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(4-sulfamoylbenzoyl)amino]oxane-2-carboxylate
CID 164623653

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide (CID 166627098) is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide is CCCO[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-propoxyoxan-3-yl]-4-sulfamoylbenzamide?
The InChIKey is UTTZMTALGLMYHD-UTGUJQJDSA-N. The full InChI is InChI=1S/C16H24N2O8S/c1-2-7-25-16-12(14(21)13(20)11(8-19)26-16)18-15(22)9-3-5-10(6-4-9)27(17,23)24/h3-6,11-14,16,19-21H,2,7-8H2,1H3,(H,18,22)(H2,17,23,24)/t11-,12-,13-,14-,16-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide?
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-4-sulfamoylbenzamide has a molecular weight of 404.44 g/mol, XLogP of -1.70, 7 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-propoxyoxan-3-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 166627098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).