N-[4-(2-aminoethyl)phenyl]benzenesulfonamide

C14H16N2O2S — CID 15281645

IUPACN-[4-(2-aminoethyl)phenyl]benzenesulfonamide
SMILESNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S/c15-11-10-12-6-8-13(9-7-12)16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11,15H2
InChIKeyPRODIAPRPOSQSM-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.99
Rot. Bonds5

About N-[4-(2-aminoethyl)phenyl]benzenesulfonamide

N-[4-(2-aminoethyl)phenyl]benzenesulfonamide (PubChem CID 15281645) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]benzenesulfonamide
PubChem CID15281645
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[4-(2-aminoethyl)phenyl]benzenesulfonamide
SMILESNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S/c15-11-10-12-6-8-13(9-7-12)16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11,15H2
InChIKeyPRODIAPRPOSQSM-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 N-[4-(2-aminoethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]benzenesulfonamide (CID 15281645) is N-[4-(2-aminoethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]benzenesulfonamide is NCCc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]benzenesulfonamide?
The InChIKey is PRODIAPRPOSQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-11-10-12-6-8-13(9-7-12)16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11,15H2.
What are the key properties of N-[4-(2-aminoethyl)phenyl]benzenesulfonamide?
N-[4-(2-aminoethyl)phenyl]benzenesulfonamide 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 N-[4-(2-aminoethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 15281645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).