N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide

C13H22N2O2S — CID 43508200

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(C)NCC
InChIInChI=1S/C13H22N2O2S/c1-4-10-18(16,17)15-13-9-7-6-8-12(13)11(3)14-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyLWRLKHCFTLNGML-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.51
Rot. Bonds7

About N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide

N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide (PubChem CID 43508200) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
PubChem CID43508200
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(C)NCC
InChIInChI=1S/C13H22N2O2S/c1-4-10-18(16,17)15-13-9-7-6-8-12(13)11(3)14-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyLWRLKHCFTLNGML-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
CID 106057914
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide (CID 43508200) is N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1C(C)NCC.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide?
The InChIKey is LWRLKHCFTLNGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10-18(16,17)15-13-9-7-6-8-12(13)11(3)14-5-2/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide?
N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 43508200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).