N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide

C16H20N2O3S — CID 11602190

IUPACN-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCNCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H20N2O3S/c19-13-12-17-10-11-18-22(20,21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-19H,10-13H2
InChIKeyRFLJFPNHPHHVGQ-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.21
Rot. Bonds8

About N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide

N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide (PubChem CID 11602190) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide
PubChem CID11602190
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCNCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H20N2O3S/c19-13-12-17-10-11-18-22(20,21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-19H,10-13H2
InChIKeyRFLJFPNHPHHVGQ-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide (CID 11602190) is N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCCNCCO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is RFLJFPNHPHHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-13-12-17-10-11-18-22(20,21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-19H,10-13H2.
What are the key properties of N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide?
N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylamino)ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 11602190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).