N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide

C16H20N2O3S — CID 21426686

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c19-16(14-7-3-1-4-8-14)13-17-11-12-18-22(20,21)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2
InChIKeySKMFDKHINUNVBR-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.29
Rot. Bonds8

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

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide (PubChem CID 21426686) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
PubChem CID21426686
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c19-16(14-7-3-1-4-8-14)13-17-11-12-18-22(20,21)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2
InChIKeySKMFDKHINUNVBR-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.29
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]benzenesulfonamide?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide (CID 21426686) is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNCC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is SKMFDKHINUNVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-16(14-7-3-1-4-8-14)13-17-11-12-18-22(20,21)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2.
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide?
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.29, 8 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]benzenesulfonamide is sourced from PubChem (CID 21426686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).