1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide

C16H20N2O2S — CID 63012782

IUPAC1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H20N2O2S/c1-13(11-14-5-3-2-4-6-14)18-21(19,20)12-15-7-9-16(17)10-8-15/h2-10,13,18H,11-12,17H2,1H3
InChIKeyZZGXCMVYNMKRGX-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.32
Rot. Bonds6

About 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide

1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide (PubChem CID 63012782) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
PubChem CID63012782
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H20N2O2S/c1-13(11-14-5-3-2-4-6-14)18-21(19,20)12-15-7-9-16(17)10-8-15/h2-10,13,18H,11-12,17H2,1H3
InChIKeyZZGXCMVYNMKRGX-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
1-(4-aminophenyl)-N-pent-4-yn-2-ylmethanesulfonamide
CID 113476946
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970
1-(4-aminophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 61109652
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
ethyl 2-(benzylsulfonylamino)propanoate
CID 61235781

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide (CID 63012782) is 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide is CC(Cc1ccccc1)NS(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
The InChIKey is ZZGXCMVYNMKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(11-14-5-3-2-4-6-14)18-21(19,20)12-15-7-9-16(17)10-8-15/h2-10,13,18H,11-12,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide?
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.32, 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-(1-phenylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 63012782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).