4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide

C27H24N4O3S — CID 73356914

IUPAC4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C27H24N4O3S/c32-35(33,28-17-16-21-6-2-1-3-7-21)27-14-11-25(12-15-27)31-19-24(29-30-31)20-34-26-13-10-22-8-4-5-9-23(22)18-26/h1-15,18-19,28H,16-17,20H2
InChIKeyVHJHPNDJOACRFO-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.52
Rot. Bonds9

About 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide

4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 73356914) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID73356914
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC Name4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C27H24N4O3S/c32-35(33,28-17-16-21-6-2-1-3-7-21)27-14-11-25(12-15-27)31-19-24(29-30-31)20-34-26-13-10-22-8-4-5-9-23(22)18-26/h1-15,18-19,28H,16-17,20H2
InChIKeyVHJHPNDJOACRFO-UHFFFAOYSA-N
XLogP4.52
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide (CID 73356914) is 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccc4ccccc4c3)nn2)cc1.
What is the InChIKey of 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is VHJHPNDJOACRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c32-35(33,28-17-16-21-6-2-1-3-7-21)27-14-11-25(12-15-27)31-19-24(29-30-31)20-34-26-13-10-22-8-4-5-9-23(22)18-26/h1-15,18-19,28H,16-17,20H2.
What are the key properties of 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 484.58 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 73356914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).