N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide

C23H19NO5S — CID 25037495

IUPACN-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccc(O)cc34)c2)cc1
InChIInChI=1S/C23H19NO5S/c1-14-2-8-18(9-3-14)30(28,29)24-16-6-11-21(26)20(12-16)23-19-13-17(25)7-4-15(19)5-10-22(23)27/h2-13,24-27H,1H3
InChIKeySWCWAOGTSTZFLV-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.73
Rot. Bonds4

About N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide

N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 25037495) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
PubChem CID25037495
Molecular FormulaC23H19NO5S
Molecular Weight421.47 g/mol
Exact Mass421.10
IUPAC NameN-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccc(O)cc34)c2)cc1
InChIInChI=1S/C23H19NO5S/c1-14-2-8-18(9-3-14)30(28,29)24-16-6-11-21(26)20(12-16)23-19-13-17(25)7-4-15(19)5-10-22(23)27/h2-13,24-27H,1H3
InChIKeySWCWAOGTSTZFLV-UHFFFAOYSA-N
XLogP4.73
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 1073704
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-4-methoxybenzenesulfonamide
CID 1324609
N-(3-tert-butyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 800852
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
7-hydroxy-1-N,3-N-bis(3-methylphenyl)naphthalene-1,3-disulfonamide
CID 86634474
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 57384262
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide (CID 25037495) is N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccc(O)cc34)c2)cc1.
What is the InChIKey of N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is SWCWAOGTSTZFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-14-2-8-18(9-3-14)30(28,29)24-16-6-11-21(26)20(12-16)23-19-13-17(25)7-4-15(19)5-10-22(23)27/h2-13,24-27H,1H3.
What are the key properties of N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 421.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25037495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).