N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide

C12H20N2O2S — CID 43458794

IUPACN-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)Cc1ccc(N)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-9-17(15,16)14(4-2)10-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyFMNCVACRSAFYCJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.83
Rot. Bonds6

About N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide

N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide (PubChem CID 43458794) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
PubChem CID43458794
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)Cc1ccc(N)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-9-17(15,16)14(4-2)10-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyFMNCVACRSAFYCJ-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethyl-2-methylsulfonylethanesulfonamide
CID 63245077
N-[(4-aminophenyl)methyl]-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103520822
2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide
CID 43461085
N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64988006
N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 43458785
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655
2-amino-N-ethyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 39360668
N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
CID 79592394
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide (CID 43458794) is N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(CC)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide?
The InChIKey is FMNCVACRSAFYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-9-17(15,16)14(4-2)10-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide?
N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 43458794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).