N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide

C26H28N2O2S — CID 15710745

IUPACN-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCN1CC=C(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-31(30,26-15-8-3-9-16-26)28(25-13-6-2-7-14-25)20-10-19-27-21-17-24(18-22-27)23-11-4-1-5-12-23/h1-9,11-17H,10,18-22H2
InChIKeyQWVPSLXKIGGBPP-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.06
Rot. Bonds8

About N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide

N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide (PubChem CID 15710745) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide
PubChem CID15710745
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCN1CC=C(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-31(30,26-15-8-3-9-16-26)28(25-13-6-2-7-14-25)20-10-19-27-21-17-24(18-22-27)23-11-4-1-5-12-23/h1-9,11-17H,10,18-22H2
InChIKeyQWVPSLXKIGGBPP-UHFFFAOYSA-N
XLogP5.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide (CID 15710745) is N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCN1CC=C(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide?
The InChIKey is QWVPSLXKIGGBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c29-31(30,26-15-8-3-9-16-26)28(25-13-6-2-7-14-25)20-10-19-27-21-17-24(18-22-27)23-11-4-1-5-12-23/h1-9,11-17H,10,18-22H2.
What are the key properties of N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide?
N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide has a molecular weight of 432.59 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 15710745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).