N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide

C23H19NO4S — CID 25069768

IUPACN-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C23H19NO4S/c1-29(27,28)24-19-6-2-5-18(13-19)23-21-10-8-16(12-17(21)9-11-22(23)26)15-4-3-7-20(25)14-15/h2-14,24-26H,1H3
InChIKeyFRZBNIHVXARHST-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.96
Rot. Bonds4

About N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide

N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide (PubChem CID 25069768) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide
PubChem CID25069768
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC NameN-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C23H19NO4S/c1-29(27,28)24-19-6-2-5-18(13-19)23-21-10-8-16(12-17(21)9-11-22(23)26)15-4-3-7-20(25)14-15/h2-14,24-26H,1H3
InChIKeyFRZBNIHVXARHST-UHFFFAOYSA-N
XLogP4.96
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide (CID 25069768) is N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1.
What is the InChIKey of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide?
The InChIKey is FRZBNIHVXARHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-29(27,28)24-19-6-2-5-18(13-19)23-21-10-8-16(12-17(21)9-11-22(23)26)15-4-3-7-20(25)14-15/h2-14,24-26H,1H3.
What are the key properties of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide?
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 25069768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).