N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide

C17H18FN7O5S — CID 122181504

IUPACN-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)C[C@H]1F
InChIInChI=1S/C17H18FN7O5S/c18-11-5-9(30-17(11)25-8-22-13-14(19)20-7-21-15(13)25)6-23-31(28,29)24-16(27)10-3-1-2-4-12(10)26/h1-4,7-9,11,17,23,26H,5-6H2,(H,24,27)(H2,19,20,21)/t9-,11+,17+/m0/s1
InChIKeyZMQOMGSIXSNVQG-VKHBWIJISA-N
MW451.44 g/mol
LogP0.00
Rot. Bonds6

About N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide

N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide (PubChem CID 122181504) has the molecular formula C17H18FN7O5S and a molecular weight of 451.44 g/mol. Its IUPAC name is N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide
PubChem CID122181504
Molecular FormulaC17H18FN7O5S
Molecular Weight451.44 g/mol
Exact Mass451.11
IUPAC NameN-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)C[C@H]1F
InChIInChI=1S/C17H18FN7O5S/c18-11-5-9(30-17(11)25-8-22-13-14(19)20-7-21-15(13)25)6-23-31(28,29)24-16(27)10-3-1-2-4-12(10)26/h1-4,7-9,11,17,23,26H,5-6H2,(H,24,27)(H2,19,20,21)/t9-,11+,17+/m0/s1
InChIKeyZMQOMGSIXSNVQG-VKHBWIJISA-N
XLogP0.00
TPSA174.35 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide with MolForge

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Launch Full Analysis

Related Compounds

[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl N-(2-hydroxybenzoyl)sulfamate
CID 88912565
[(2R,3R,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(2-hydroxybenzoyl)sulfamoyloxymethyl]oxolan-3-yl] acetate
CID 11959972
N-[[(3S,4R,5R)-3,4-dihydroxy-5-(6-methoxypurin-9-yl)oxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide
CID 167077231
2-amino-N-[[(2R,3S,4R,5R)-5-[6-(cyclopropylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]benzamide
CID 137470708
[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]methyl N-(2-hydroxybenzoyl)sulfamate
CID 91095094
methyl (2S)-2-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 155679792
N-[[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethyloxolan-2-yl]methyl]-1,1-difluoro-2-(2-hydroxyphenyl)-2-oxoethanesulfonamide
CID 59848465
[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
CID 144900626
[(2S,4R,5R)-4-fluoro-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methylsulfamic acid
CID 147118177
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
CID 10858004
N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]-4-(2-nitrophenyl)-4-oxobutanamide
CID 130383124
N-[6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfonyl-2-hydroxybenzamide
CID 91096157

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide?
The IUPAC name of N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide (CID 122181504) is N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)C[C@H]1F.
What is the InChIKey of N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide?
The InChIKey is ZMQOMGSIXSNVQG-VKHBWIJISA-N. The full InChI is InChI=1S/C17H18FN7O5S/c18-11-5-9(30-17(11)25-8-22-13-14(19)20-7-21-15(13)25)6-23-31(28,29)24-16(27)10-3-1-2-4-12(10)26/h1-4,7-9,11,17,23,26H,5-6H2,(H,24,27)(H2,19,20,21)/t9-,11+,17+/m0/s1.
What are the key properties of N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide?
N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide has a molecular weight of 451.44 g/mol, XLogP of 0.00, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methylsulfamoyl]-2-hydroxybenzamide is sourced from PubChem (CID 122181504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).