4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide

C12H16N2O7S — CID 164624530

IUPAC4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C12H16N2O7S/c13-22(19,20)7-3-1-6(2-4-7)11(18)14-12-10(17)9(16)8(15)5-21-12/h1-4,8-10,12,15-17H,5H2,(H,14,18)(H2,13,19,20)/t8-,9+,10-,12-/m1/s1
InChIKeyFBFNOTYMUDSZOW-DTHBNOIPSA-N
MW332.33 g/mol
LogP-2.50
Rot. Bonds3

About 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide

4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide (PubChem CID 164624530) has the molecular formula C12H16N2O7S and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide
PubChem CID164624530
Molecular FormulaC12H16N2O7S
Molecular Weight332.33 g/mol
Exact Mass332.07
IUPAC Name4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C12H16N2O7S/c13-22(19,20)7-3-1-6(2-4-7)11(18)14-12-10(17)9(16)8(15)5-21-12/h1-4,8-10,12,15-17H,5H2,(H,14,18)(H2,13,19,20)/t8-,9+,10-,12-/m1/s1
InChIKeyFBFNOTYMUDSZOW-DTHBNOIPSA-N
XLogP-2.50
TPSA159.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide?
The IUPAC name of 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide (CID 164624530) is 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide is NS(=O)(=O)c1ccc(C(=O)N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1.
What is the InChIKey of 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide?
The InChIKey is FBFNOTYMUDSZOW-DTHBNOIPSA-N. The full InChI is InChI=1S/C12H16N2O7S/c13-22(19,20)7-3-1-6(2-4-7)11(18)14-12-10(17)9(16)8(15)5-21-12/h1-4,8-10,12,15-17H,5H2,(H,14,18)(H2,13,19,20)/t8-,9+,10-,12-/m1/s1.
What are the key properties of 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide?
4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide has a molecular weight of 332.33 g/mol, XLogP of -2.50, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide is sourced from PubChem (CID 164624530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).