N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide

C34H25NO2S — CID 176780206

IUPACN-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC#Cc1ccccc1)C(C#Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C34H25NO2S/c36-38(37,33-20-8-3-9-21-33)35(26-12-17-28-13-4-1-5-14-28)34(25-22-29-15-6-2-7-16-29)32-24-23-30-18-10-11-19-31(30)27-32/h1-11,13-16,18-21,23-24,27,34H,26H2
InChIKeyMJEGNNUEMVWCQD-UHFFFAOYSA-N
MW511.65 g/mol
LogP6.68
Rot. Bonds5

About N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide

N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide (PubChem CID 176780206) has the molecular formula C34H25NO2S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide
PubChem CID176780206
Molecular FormulaC34H25NO2S
Molecular Weight511.65 g/mol
Exact Mass511.16
IUPAC NameN-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC#Cc1ccccc1)C(C#Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C34H25NO2S/c36-38(37,33-20-8-3-9-21-33)35(26-12-17-28-13-4-1-5-14-28)34(25-22-29-15-6-2-7-16-29)32-24-23-30-18-10-11-19-31(30)27-32/h1-11,13-16,18-21,23-24,27,34H,26H2
InChIKeyMJEGNNUEMVWCQD-UHFFFAOYSA-N
XLogP6.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.65
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
The IUPAC name of N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide (CID 176780206) is N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide.
What is the SMILES notation for N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
The canonical SMILES for N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CC#Cc1ccccc1)C(C#Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
The InChIKey is MJEGNNUEMVWCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NO2S/c36-38(37,33-20-8-3-9-21-33)35(26-12-17-28-13-4-1-5-14-28)34(25-22-29-15-6-2-7-16-29)32-24-23-30-18-10-11-19-31(30)27-32/h1-11,13-16,18-21,23-24,27,34H,26H2.
What are the key properties of N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide has a molecular weight of 511.65 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-yl-3-phenylprop-2-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 176780206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).