N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide

C23H19NO4S — CID 21205833

IUPACN-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)ccc1O
InChIInChI=1S/C23H19NO4S/c1-15-13-16(11-12-22(15)25)20-14-21(18-9-5-6-10-19(18)23(20)26)24-29(27,28)17-7-3-2-4-8-17/h2-14,24-26H,1H3
InChIKeyUONNMVVEWZUDLJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.03
Rot. Bonds4

About N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide

N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide (PubChem CID 21205833) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide
PubChem CID21205833
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC NameN-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)ccc1O
InChIInChI=1S/C23H19NO4S/c1-15-13-16(11-12-22(15)25)20-14-21(18-9-5-6-10-19(18)23(20)26)24-29(27,28)17-7-3-2-4-8-17/h2-14,24-26H,1H3
InChIKeyUONNMVVEWZUDLJ-UHFFFAOYSA-N
XLogP5.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
4-acetyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565479
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846
N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide
CID 693420
2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 1184112
N-(3-benzylsulfanyl-4-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 1297152
N-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-4-hydroxynaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 2231022
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
(2S)-2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate
CID 7720329
2-methyl-4-(4-methylnaphthalen-1-yl)phenol
CID 53405300
3-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzoic acid
CID 118952599

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide (CID 21205833) is N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide is Cc1cc(-c2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)ccc1O.
What is the InChIKey of N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide?
The InChIKey is UONNMVVEWZUDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-15-13-16(11-12-22(15)25)20-14-21(18-9-5-6-10-19(18)23(20)26)24-29(27,28)17-7-3-2-4-8-17/h2-14,24-26H,1H3.
What are the key properties of N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide?
N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 21205833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).