N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide

C11H18N2O2S — CID 63233825

IUPACN-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H18N2O2S/c1-4-13(16(14,15)9(2)3)11-7-5-10(12)6-8-11/h5-9H,4,12H2,1-3H3
InChIKeyJSUGKLWCPWTSRF-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.83
Rot. Bonds4

About N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide

N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide (PubChem CID 63233825) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
PubChem CID63233825
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H18N2O2S/c1-4-13(16(14,15)9(2)3)11-7-5-10(12)6-8-11/h5-9H,4,12H2,1-3H3
InChIKeyJSUGKLWCPWTSRF-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
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)-N-propylpropane-2-sulfonamide
CID 63233852
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 63234087
N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
CID 63234172
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
CID 28894518
N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 63233523
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide (CID 63233825) is N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide is CCN(c1ccc(N)cc1)S(=O)(=O)C(C)C.
What is the InChIKey of N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide?
The InChIKey is JSUGKLWCPWTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-13(16(14,15)9(2)3)11-7-5-10(12)6-8-11/h5-9H,4,12H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide?
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide is sourced from PubChem (CID 63233825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).