N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide

C15H18N2O2S — CID 11849203

IUPACN-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide
SMILESCNCCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c1-16-11-10-13-6-5-7-14(12-13)17-20(18,19)15-8-3-2-4-9-15/h2-9,12,16-17H,10-11H2,1H3
InChIKeyHDPMFWVSPWUYPZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.25
Rot. Bonds6

About N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide

N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide (PubChem CID 11849203) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide
PubChem CID11849203
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide
SMILESCNCCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c1-16-11-10-13-6-5-7-14(12-13)17-20(18,19)15-8-3-2-4-9-15/h2-9,12,16-17H,10-11H2,1H3
InChIKeyHDPMFWVSPWUYPZ-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide (CID 11849203) is N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide is CNCCc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide?
The InChIKey is HDPMFWVSPWUYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-16-11-10-13-6-5-7-14(12-13)17-20(18,19)15-8-3-2-4-9-15/h2-9,12,16-17H,10-11H2,1H3.
What are the key properties of N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide?
N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 11849203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).