N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide

C17H18N2O5S — CID 71693230

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide
SMILESO=C1CO[C@H](c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@@H](CO)N1
InChIInChI=1S/C17H18N2O5S/c20-10-15-17(24-11-16(21)18-15)12-6-8-13(9-7-12)19-25(22,23)14-4-2-1-3-5-14/h1-9,15,17,19-20H,10-11H2,(H,18,21)/t15-,17-/m1/s1
InChIKeySZCNEJCCRUIKFP-NVXWUHKLSA-N
MW362.41 g/mol
LogP1.04
Rot. Bonds5

About N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide (PubChem CID 71693230) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide
PubChem CID71693230
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide
SMILESO=C1CO[C@H](c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@@H](CO)N1
InChIInChI=1S/C17H18N2O5S/c20-10-15-17(24-11-16(21)18-15)12-6-8-13(9-7-12)19-25(22,23)14-4-2-1-3-5-14/h1-9,15,17,19-20H,10-11H2,(H,18,21)/t15-,17-/m1/s1
InChIKeySZCNEJCCRUIKFP-NVXWUHKLSA-N
XLogP1.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide (CID 71693230) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide is O=C1CO[C@H](c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@@H](CO)N1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide?
The InChIKey is SZCNEJCCRUIKFP-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-10-15-17(24-11-16(21)18-15)12-6-8-13(9-7-12)19-25(22,23)14-4-2-1-3-5-14/h1-9,15,17,19-20H,10-11H2,(H,18,21)/t15-,17-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 362.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 71693230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).