N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide

C19H24N2O4S — CID 75410013

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-7-9-15(10-8-14)11-20-17-13-25-18(19(17)22)12-21-26(23,24)16-5-3-2-4-6-16/h2-10,17-22H,11-13H2,1H3/t17-,18-,19+/m1/s1
InChIKeyKMZJIWBQQZBVAA-QRVBRYPASA-N
MW376.48 g/mol
LogP1.19
Rot. Bonds7

About N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 75410013) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID75410013
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-7-9-15(10-8-14)11-20-17-13-25-18(19(17)22)12-21-26(23,24)16-5-3-2-4-6-16/h2-10,17-22H,11-13H2,1H3/t17-,18-,19+/m1/s1
InChIKeyKMZJIWBQQZBVAA-QRVBRYPASA-N
XLogP1.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide (CID 75410013) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide is Cc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is KMZJIWBQQZBVAA-QRVBRYPASA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-7-9-15(10-8-14)11-20-17-13-25-18(19(17)22)12-21-26(23,24)16-5-3-2-4-6-16/h2-10,17-22H,11-13H2,1H3/t17-,18-,19+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 75410013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).