1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide

C16H20N2O2S — CID 61109652

IUPAC1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(15-5-3-2-4-6-15)11-18-21(19,20)12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12,17H2,1H3
InChIKeyJBERXZOYFLFTFT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide

1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide (PubChem CID 61109652) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
PubChem CID61109652
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(15-5-3-2-4-6-15)11-18-21(19,20)12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12,17H2,1H3
InChIKeyJBERXZOYFLFTFT-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
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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Related Compounds

1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-chloro-N-(2-phenylpropyl)methanesulfonamide
CID 63665326
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
CID 65037107
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
1-(3-nitrophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133235825
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide (CID 61109652) is 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide is CC(CNS(=O)(=O)Cc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide?
The InChIKey is JBERXZOYFLFTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(15-5-3-2-4-6-15)11-18-21(19,20)12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide?
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 61109652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).