2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide

C15H18N2O2S — CID 63012265

IUPAC2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H18N2O2S/c1-12(11-13-7-3-2-4-8-13)17-20(18,19)15-10-6-5-9-14(15)16/h2-10,12,17H,11,16H2,1H3
InChIKeyLPSREOFKYAMTNY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.18
Rot. Bonds5

About 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide

2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 63012265) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
PubChem CID63012265
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H18N2O2S/c1-12(11-13-7-3-2-4-8-13)17-20(18,19)15-10-6-5-9-14(15)16/h2-10,12,17H,11,16H2,1H3
InChIKeyLPSREOFKYAMTNY-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113375971
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
CID 106062422
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945031
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide (CID 63012265) is 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide is CC(Cc1ccccc1)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is LPSREOFKYAMTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12(11-13-7-3-2-4-8-13)17-20(18,19)15-10-6-5-9-14(15)16/h2-10,12,17H,11,16H2,1H3.
What are the key properties of 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide?
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63012265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).