N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide

C17H22N2O3S — CID 21426687

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c20-17(16-9-5-2-6-10-16)13-18-11-12-19-23(21,22)14-15-7-3-1-4-8-15/h1-10,17-20H,11-14H2
InChIKeyXMFYAYWADHCJME-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.43
Rot. Bonds9

About N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide (PubChem CID 21426687) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide
PubChem CID21426687
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c20-17(16-9-5-2-6-10-16)13-18-11-12-19-23(21,22)14-15-7-3-1-4-8-15/h1-10,17-20H,11-14H2
InChIKeyXMFYAYWADHCJME-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide (CID 21426687) is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCNCC(O)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide?
The InChIKey is XMFYAYWADHCJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-17(16-9-5-2-6-10-16)13-18-11-12-19-23(21,22)14-15-7-3-1-4-8-15/h1-10,17-20H,11-14H2.
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide?
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 21426687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).