2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide

C13H22N2O2S — CID 54972905

IUPAC2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)CCNCC
InChIInChI=1S/C13H22N2O2S/c1-3-7-12-8-5-6-9-13(12)15-18(16,17)11-10-14-4-2/h5-6,8-9,14-15H,3-4,7,10-11H2,1-2H3
InChIKeyDLHRECGPWZMICF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.99
Rot. Bonds8

About 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide

2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide (PubChem CID 54972905) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
PubChem CID54972905
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)CCNCC
InChIInChI=1S/C13H22N2O2S/c1-3-7-12-8-5-6-9-13(12)15-18(16,17)11-10-14-4-2/h5-6,8-9,14-15H,3-4,7,10-11H2,1-2H3
InChIKeyDLHRECGPWZMICF-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide (CID 54972905) is 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide is CCCc1ccccc1NS(=O)(=O)CCNCC.
What is the InChIKey of 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide?
The InChIKey is DLHRECGPWZMICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-7-12-8-5-6-9-13(12)15-18(16,17)11-10-14-4-2/h5-6,8-9,14-15H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide?
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide is sourced from PubChem (CID 54972905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).