N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

C23H26N2O4S — CID 19073158

IUPACN-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C23H26N2O4S/c1-30(28,29)25-21-15-19(12-13-22(21)26)23(27)16-24-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20,23-27H,14,16H2,1H3
InChIKeyGTHURDNXWAMVPK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.37
Rot. Bonds9

About N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide (PubChem CID 19073158) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
PubChem CID19073158
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C23H26N2O4S/c1-30(28,29)25-21-15-19(12-13-22(21)26)23(27)16-24-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20,23-27H,14,16H2,1H3
InChIKeyGTHURDNXWAMVPK-UHFFFAOYSA-N
XLogP3.37
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide (CID 19073158) is N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccccc2)ccc1O.
What is the InChIKey of N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
The InChIKey is GTHURDNXWAMVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-30(28,29)25-21-15-19(12-13-22(21)26)23(27)16-24-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20,23-27H,14,16H2,1H3.
What are the key properties of N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 3.37, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1,2-diphenylethylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide is sourced from PubChem (CID 19073158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).