N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide

C18H23N3O4S — CID 75536714

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3cccnc3)[C@@H]2O)cc1
InChIInChI=1S/C18H23N3O4S/c1-13-4-6-15(7-5-13)26(23,24)21-11-17-18(22)16(12-25-17)20-10-14-3-2-8-19-9-14/h2-9,16-18,20-22H,10-12H2,1H3/t16-,17-,18+/m1/s1
InChIKeyALUMZSNAEQXVDR-KURKYZTESA-N
MW377.47 g/mol
LogP0.59
Rot. Bonds7

About N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide

N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 75536714) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID75536714
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3cccnc3)[C@@H]2O)cc1
InChIInChI=1S/C18H23N3O4S/c1-13-4-6-15(7-5-13)26(23,24)21-11-17-18(22)16(12-25-17)20-10-14-3-2-8-19-9-14/h2-9,16-18,20-22H,10-12H2,1H3/t16-,17-,18+/m1/s1
InChIKeyALUMZSNAEQXVDR-KURKYZTESA-N
XLogP0.59
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide (CID 75536714) is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3cccnc3)[C@@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is ALUMZSNAEQXVDR-KURKYZTESA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-4-6-15(7-5-13)26(23,24)21-11-17-18(22)16(12-25-17)20-10-14-3-2-8-19-9-14/h2-9,16-18,20-22H,10-12H2,1H3/t16-,17-,18+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75536714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).