N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide

C11H18N2O2S — CID 43508080

IUPACN-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C11H18N2O2S/c1-4-16(14,15)13-11-7-5-10(6-8-11)9(2)12-3/h5-9,12-13H,4H2,1-3H3
InChIKeyNGLFQARWEKBNJS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.73
Rot. Bonds5

About N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide

N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide (PubChem CID 43508080) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
PubChem CID43508080
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C11H18N2O2S/c1-4-16(14,15)13-11-7-5-10(6-8-11)9(2)12-3/h5-9,12-13H,4H2,1-3H3
InChIKeyNGLFQARWEKBNJS-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-[4-[(1S)-1-(3,5-difluoroanilino)ethyl]phenyl]ethanesulfonamide
CID 97306800
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide
CID 110776672
N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
CID 75428354
N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide
CID 84596568
N-[4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]phenyl]ethanesulfonamide
CID 119033190
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94027949
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide (CID 43508080) is N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(C)NC)cc1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
The InChIKey is NGLFQARWEKBNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-16(14,15)13-11-7-5-10(6-8-11)9(2)12-3/h5-9,12-13H,4H2,1-3H3.
What are the key properties of N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 43508080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).