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

C14H21N3O7S — CID 166632791

IUPACN-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide
SMILESCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H21N3O7S/c1-23-14-10(15)12(19)11(18)9(24-14)6-17-13(20)7-2-4-8(5-3-7)25(16,21)22/h2-5,9-12,14,18-19H,6,15H2,1H3,(H,17,20)(H2,16,21,22)/t9-,10-,11-,12-,14-/m1/s1
InChIKeyAIJFMSUYFOANCM-CBLPJQPBSA-N
MW375.40 g/mol
LogP-2.52
Rot. Bonds5

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

N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide (PubChem CID 166632791) has the molecular formula C14H21N3O7S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide
PubChem CID166632791
Molecular FormulaC14H21N3O7S
Molecular Weight375.40 g/mol
Exact Mass375.11
IUPAC NameN-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide
SMILESCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H21N3O7S/c1-23-14-10(15)12(19)11(18)9(24-14)6-17-13(20)7-2-4-8(5-3-7)25(16,21)22/h2-5,9-12,14,18-19H,6,15H2,1H3,(H,17,20)(H2,16,21,22)/t9-,10-,11-,12-,14-/m1/s1
InChIKeyAIJFMSUYFOANCM-CBLPJQPBSA-N
XLogP-2.52
TPSA174.20 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Related Compounds

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(2s,3r)-4-{[(4-Carbamoylphenyl)sulfonyl](2-Methylpropyl)amino}-3-Hydroxy-1-Phenylbutan-2-Yl]carbamate
CID 71627394
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
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,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide (CID 166632791) is N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide is CO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide?
The InChIKey is AIJFMSUYFOANCM-CBLPJQPBSA-N. The full InChI is InChI=1S/C14H21N3O7S/c1-23-14-10(15)12(19)11(18)9(24-14)6-17-13(20)7-2-4-8(5-3-7)25(16,21)22/h2-5,9-12,14,18-19H,6,15H2,1H3,(H,17,20)(H2,16,21,22)/t9-,10-,11-,12-,14-/m1/s1.
What are the key properties of N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide?
N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide has a molecular weight of 375.40 g/mol, XLogP of -2.52, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 166632791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).