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

C12H16N2O7S — CID 164609995

IUPACN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[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(5-15)21-12/h1-4,8-10,12,15-17H,5H2,(H,14,18)(H2,13,19,20)/t8-,9-,10-,12-/m1/s1
InChIKeyQSRVQCMYJZKFHJ-DNRKLUKYSA-N
MW332.33 g/mol
LogP-2.50
Rot. Bonds4

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

N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide (PubChem CID 164609995) has the molecular formula C12H16N2O7S and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide
PubChem CID164609995
Molecular FormulaC12H16N2O7S
Molecular Weight332.33 g/mol
Exact Mass332.07
IUPAC NameN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[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(5-15)21-12/h1-4,8-10,12,15-17H,5H2,(H,14,18)(H2,13,19,20)/t8-,9-,10-,12-/m1/s1
InChIKeyQSRVQCMYJZKFHJ-DNRKLUKYSA-N
XLogP-2.50
TPSA159.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
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 N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide (CID 164609995) is N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide?
The InChIKey is QSRVQCMYJZKFHJ-DNRKLUKYSA-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(5-15)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 N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide?
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide has a molecular weight of 332.33 g/mol, XLogP of -2.50, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 164609995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).