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

C29H20N2O4S — CID 25073248

IUPAC2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C29H20N2O4S/c30-18-23-5-1-2-10-28(23)36(34,35)31-24-8-3-7-22(16-24)29-26-13-11-20(15-21(26)12-14-27(29)33)19-6-4-9-25(32)17-19/h1-17,31-33H
InChIKeySDMSSGPAXATLCG-UHFFFAOYSA-N
MW492.56 g/mol
LogP6.26
Rot. Bonds5

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

2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (PubChem CID 25073248) has the molecular formula C29H20N2O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
PubChem CID25073248
Molecular FormulaC29H20N2O4S
Molecular Weight492.56 g/mol
Exact Mass492.11
IUPAC Name2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C29H20N2O4S/c30-18-23-5-1-2-10-28(23)36(34,35)31-24-8-3-7-22(16-24)29-26-13-11-20(15-21(26)12-14-27(29)33)19-6-4-9-25(32)17-19/h1-17,31-33H
InChIKeySDMSSGPAXATLCG-UHFFFAOYSA-N
XLogP6.26
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.56
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Tti-101
CID 1324494
N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
CID 1073704
4-fluoro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 1073705
ATG12-ATG3 inhibitor 1
CID 746288
N-(3-(2-Hydroxy-6-(3-hydroxyphenyl)naphthalene-1-yl)phenyl)methanesulfonamide
CID 25069768
N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide
CID 25073557
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-4-nitrobenzenesulfonamide
CID 25073558
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
CID 25073863
4-bromo-2,5-difluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 25074165
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 57388026
4-ethyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 1073702
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,4,5-trimethylbenzene-1-sulfonamide
CID 1308751

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (CID 25073248) is 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1.
What is the InChIKey of 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The InChIKey is SDMSSGPAXATLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O4S/c30-18-23-5-1-2-10-28(23)36(34,35)31-24-8-3-7-22(16-24)29-26-13-11-20(15-21(26)12-14-27(29)33)19-6-4-9-25(32)17-19/h1-17,31-33H.
What are the key properties of 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide has a molecular weight of 492.56 g/mol, XLogP of 6.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25073248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).