N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide

C22H17NO2S2 — CID 5025961

IUPACN-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO2S2/c24-27(25,20-15-14-17-8-4-5-9-18(17)16-20)23-21-12-6-7-13-22(21)26-19-10-2-1-3-11-19/h1-16,23H
InChIKeyZJVGGLFOZCQZOZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.79
Rot. Bonds5

About N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide

N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide (PubChem CID 5025961) has the molecular formula C22H17NO2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
PubChem CID5025961
Molecular FormulaC22H17NO2S2
Molecular Weight391.52 g/mol
Exact Mass391.07
IUPAC NameN-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO2S2/c24-27(25,20-15-14-17-8-4-5-9-18(17)16-20)23-21-12-6-7-13-22(21)26-19-10-2-1-3-11-19/h1-16,23H
InChIKeyZJVGGLFOZCQZOZ-UHFFFAOYSA-N
XLogP5.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide
CID 58565599
1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 4584042
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893521
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide (CID 5025961) is N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide?
The InChIKey is ZJVGGLFOZCQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S2/c24-27(25,20-15-14-17-8-4-5-9-18(17)16-20)23-21-12-6-7-13-22(21)26-19-10-2-1-3-11-19/h1-16,23H.
What are the key properties of N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide?
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide has a molecular weight of 391.52 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 5025961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).