3-(2-aminoethyl)-N-phenylbenzenesulfonamide

C14H16N2O2S — CID 11849794

IUPAC3-(2-aminoethyl)-N-phenylbenzenesulfonamide
SMILESNCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H16N2O2S/c15-10-9-12-5-4-8-14(11-12)19(17,18)16-13-6-2-1-3-7-13/h1-8,11,16H,9-10,15H2
InChIKeySTRFPXFHEXRQFY-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.99
Rot. Bonds5

About 3-(2-aminoethyl)-N-phenylbenzenesulfonamide

3-(2-aminoethyl)-N-phenylbenzenesulfonamide (PubChem CID 11849794) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-phenylbenzenesulfonamide
PubChem CID11849794
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(2-aminoethyl)-N-phenylbenzenesulfonamide
SMILESNCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H16N2O2S/c15-10-9-12-5-4-8-14(11-12)19(17,18)16-13-6-2-1-3-7-13/h1-8,11,16H,9-10,15H2
InChIKeySTRFPXFHEXRQFY-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(2-aminoethyl)-N-phenylbenzenesulfonamide (CID 11849794) is 3-(2-aminoethyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(2-aminoethyl)-N-phenylbenzenesulfonamide is NCCc1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-phenylbenzenesulfonamide?
The InChIKey is STRFPXFHEXRQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-10-9-12-5-4-8-14(11-12)19(17,18)16-13-6-2-1-3-7-13/h1-8,11,16H,9-10,15H2.
What are the key properties of 3-(2-aminoethyl)-N-phenylbenzenesulfonamide?
3-(2-aminoethyl)-N-phenylbenzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 11849794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).