N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide

C18H15NO3S — CID 4964090

IUPACN-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H15NO3S/c20-18-11-5-8-15-16(18)9-4-10-17(15)19-23(21,22)13-12-14-6-2-1-3-7-14/h1-13,19-20H
InChIKeyUSNCCCYVOOESFZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.96
Rot. Bonds4

About N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide

N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide (PubChem CID 4964090) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide
PubChem CID4964090
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC NameN-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H15NO3S/c20-18-11-5-8-15-16(18)9-4-10-17(15)19-23(21,22)13-12-14-6-2-1-3-7-14/h1-13,19-20H
InChIKeyUSNCCCYVOOESFZ-UHFFFAOYSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide?
The IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide (CID 4964090) is N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide is O=S(=O)(C=Cc1ccccc1)Nc1cccc2c(O)cccc12.
What is the InChIKey of N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide?
The InChIKey is USNCCCYVOOESFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-18-11-5-8-15-16(18)9-4-10-17(15)19-23(21,22)13-12-14-6-2-1-3-7-14/h1-13,19-20H.
What are the key properties of N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide?
N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxynaphthalen-1-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 4964090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).