N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline

C27H25NO2S — CID 164665998

IUPACN-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline
SMILESO=S(=O)(CC(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2S/c29-31(30,25-19-11-4-12-20-25)21-26(22-13-5-1-6-14-22)27(23-15-7-2-8-16-23)28-24-17-9-3-10-18-24/h1-20,26-28H,21H2/t26?,27-/m0/s1
InChIKeyZIBPOQHUFCDPBA-GEVKEYJPSA-N
MW427.57 g/mol
LogP6.10
Rot. Bonds8

About N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline

N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline (PubChem CID 164665998) has the molecular formula C27H25NO2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline.

Molecular Properties

Compound NameN-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline
PubChem CID164665998
Molecular FormulaC27H25NO2S
Molecular Weight427.57 g/mol
Exact Mass427.16
IUPAC NameN-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline
SMILESO=S(=O)(CC(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO2S/c29-31(30,25-19-11-4-12-20-25)21-26(22-13-5-1-6-14-22)27(23-15-7-2-8-16-23)28-24-17-9-3-10-18-24/h1-20,26-28H,21H2/t26?,27-/m0/s1
InChIKeyZIBPOQHUFCDPBA-GEVKEYJPSA-N
XLogP6.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline?
The IUPAC name of N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline (CID 164665998) is N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline.
What is the SMILES notation for N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline?
The canonical SMILES for N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline is O=S(=O)(CC(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline?
The InChIKey is ZIBPOQHUFCDPBA-GEVKEYJPSA-N. The full InChI is InChI=1S/C27H25NO2S/c29-31(30,25-19-11-4-12-20-25)21-26(22-13-5-1-6-14-22)27(23-15-7-2-8-16-23)28-24-17-9-3-10-18-24/h1-20,26-28H,21H2/t26?,27-/m0/s1.
What are the key properties of N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline?
N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline has a molecular weight of 427.57 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(benzenesulfonyl)-1,2-diphenylpropyl]aniline is sourced from PubChem (CID 164665998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).