N-(2-aminoethyl)-4-phenylbenzenesulfonamide

C14H16N2O2S — CID 95479102

IUPACN-(2-aminoethyl)-4-phenylbenzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S/c15-10-11-16-19(17,18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16H,10-11,15H2
InChIKeyDLWLTTMLXUEPPR-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.59
Rot. Bonds5

About N-(2-aminoethyl)-4-phenylbenzenesulfonamide

N-(2-aminoethyl)-4-phenylbenzenesulfonamide (PubChem CID 95479102) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-phenylbenzenesulfonamide
PubChem CID95479102
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-aminoethyl)-4-phenylbenzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S/c15-10-11-16-19(17,18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16H,10-11,15H2
InChIKeyDLWLTTMLXUEPPR-UHFFFAOYSA-N
XLogP1.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-phenylbenzenesulfonamide (CID 95479102) is N-(2-aminoethyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-phenylbenzenesulfonamide is NCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-phenylbenzenesulfonamide?
The InChIKey is DLWLTTMLXUEPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-10-11-16-19(17,18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16H,10-11,15H2.
What are the key properties of N-(2-aminoethyl)-4-phenylbenzenesulfonamide?
N-(2-aminoethyl)-4-phenylbenzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 95479102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).