N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide

C15H18N2O2S — CID 80685946

IUPACN-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12(13-5-3-2-4-6-13)11-20(18,19)17-15-9-7-14(16)8-10-15/h2-10,12,17H,11,16H2,1H3
InChIKeyMYKGQSPPUFAWRD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.81
Rot. Bonds5

About N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide

N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80685946) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
PubChem CID80685946
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-12(13-5-3-2-4-6-13)11-20(18,19)17-15-9-7-14(16)8-10-15/h2-10,12,17H,11,16H2,1H3
InChIKeyMYKGQSPPUFAWRD-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide (CID 80685946) is N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)Nc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is MYKGQSPPUFAWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12(13-5-3-2-4-6-13)11-20(18,19)17-15-9-7-14(16)8-10-15/h2-10,12,17H,11,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide?
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80685946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).