N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide

C26H19NO3S2 — CID 58565599

IUPACN-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C26H19NO3S2/c28-26-23-13-7-6-12-22(23)24(17-25(26)31-20-10-2-1-3-11-20)27-32(29,30)21-15-14-18-8-4-5-9-19(18)16-21/h1-17,27-28H
InChIKeyLOLOXLRJABJUQN-UHFFFAOYSA-N
MW457.58 g/mol
LogP6.65
Rot. Bonds5

About N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide

N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide (PubChem CID 58565599) has the molecular formula C26H19NO3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide
PubChem CID58565599
Molecular FormulaC26H19NO3S2
Molecular Weight457.58 g/mol
Exact Mass457.08
IUPAC NameN-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C26H19NO3S2/c28-26-23-13-7-6-12-22(23)24(17-25(26)31-20-10-2-1-3-11-20)27-32(29,30)21-15-14-18-8-4-5-9-19(18)16-21/h1-17,27-28H
InChIKeyLOLOXLRJABJUQN-UHFFFAOYSA-N
XLogP6.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 56.65
H-Bond Donors ≤ 52
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-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
4-bromo-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 58565705
4-chloro-N-[4-hydroxy-3-(4-methylphenyl)sulfanylnaphthalen-1-yl]-3-methylbenzenesulfonamide
CID 25040306
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
CID 58565778
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
5-chloro-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)thiophene-2-sulfonamide
CID 58565677
(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide
CID 143906959
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
CID 1296368
(2E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methylpenta-2,4-diene-2-sulfonamide
CID 143906947
(3Z)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)penta-1,3-diene-2-sulfonamide
CID 143906913
N-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-4-hydroxynaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 2231022
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide (CID 58565599) is N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide?
The InChIKey is LOLOXLRJABJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3S2/c28-26-23-13-7-6-12-22(23)24(17-25(26)31-20-10-2-1-3-11-20)27-32(29,30)21-15-14-18-8-4-5-9-19(18)16-21/h1-17,27-28H.
What are the key properties of N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide?
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide has a molecular weight of 457.58 g/mol, XLogP of 6.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 58565599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).