1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide

C16H20N2O2S — CID 62305717

IUPAC1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)12-13-7-6-10-15(17)11-13/h3-11,16,18H,2,12,17H2,1H3
InChIKeyXAHYACHMINSCDW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.84
Rot. Bonds6

About 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide

1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide (PubChem CID 62305717) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
PubChem CID62305717
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)12-13-7-6-10-15(17)11-13/h3-11,16,18H,2,12,17H2,1H3
InChIKeyXAHYACHMINSCDW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
CID 63995025
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
2-[(3-aminophenyl)methylsulfonylamino]propanamide
CID 43545255
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
CID 61113097
methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate
CID 92646992
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide (CID 62305717) is 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide is CCC(NS(=O)(=O)Cc1cccc(N)c1)c1ccccc1.
What is the InChIKey of 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide?
The InChIKey is XAHYACHMINSCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)12-13-7-6-10-15(17)11-13/h3-11,16,18H,2,12,17H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide?
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 62305717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).