N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide

C23H19NO3S — CID 143906941

IUPACN-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide
SMILESC=C(C)S(=O)(=O)Nc1cc(-c2cccc3ccccc23)c(O)c2ccccc12
InChIInChI=1S/C23H19NO3S/c1-15(2)28(26,27)24-22-14-21(23(25)20-12-6-5-11-19(20)22)18-13-7-9-16-8-3-4-10-17(16)18/h3-14,24-25H,1H2,2H3
InChIKeyGAVAATREPMUOIB-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.64
Rot. Bonds4

About N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide

N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide (PubChem CID 143906941) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide
PubChem CID143906941
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC NameN-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide
SMILESC=C(C)S(=O)(=O)Nc1cc(-c2cccc3ccccc23)c(O)c2ccccc12
InChIInChI=1S/C23H19NO3S/c1-15(2)28(26,27)24-22-14-21(23(25)20-12-6-5-11-19(20)22)18-13-7-9-16-8-3-4-10-17(16)18/h3-14,24-25H,1H2,2H3
InChIKeyGAVAATREPMUOIB-UHFFFAOYSA-N
XLogP5.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide (CID 143906941) is N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide is C=C(C)S(=O)(=O)Nc1cc(-c2cccc3ccccc23)c(O)c2ccccc12.
What is the InChIKey of N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide?
The InChIKey is GAVAATREPMUOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-15(2)28(26,27)24-22-14-21(23(25)20-12-6-5-11-19(20)22)18-13-7-9-16-8-3-4-10-17(16)18/h3-14,24-25H,1H2,2H3.
What are the key properties of N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide?
N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide is sourced from PubChem (CID 143906941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).