4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide

C14H20N2O8S — CID 166628221

IUPAC4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide
SMILESCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H20N2O8S/c1-23-14-12(19)11(18)10(17)9(24-14)6-16-13(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
InChIKeyBDUMPWXYBZWXTO-OIRVYTLQSA-N
MW376.39 g/mol
LogP-2.48
Rot. Bonds5

About 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide

4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide (PubChem CID 166628221) has the molecular formula C14H20N2O8S and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide
PubChem CID166628221
Molecular FormulaC14H20N2O8S
Molecular Weight376.39 g/mol
Exact Mass376.09
IUPAC Name4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide
SMILESCO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H20N2O8S/c1-23-14-12(19)11(18)10(17)9(24-14)6-16-13(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
InChIKeyBDUMPWXYBZWXTO-OIRVYTLQSA-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 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide?
The IUPAC name of 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide (CID 166628221) is 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide is CO[C@@H]1O[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide?
The InChIKey is BDUMPWXYBZWXTO-OIRVYTLQSA-N. The full InChI is InChI=1S/C14H20N2O8S/c1-23-14-12(19)11(18)10(17)9(24-14)6-16-13(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 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide?
4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide 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 4-sulfamoyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzamide is sourced from PubChem (CID 166628221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).