N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide

C16H11Cl2NO3S — CID 1137620

IUPACN-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C16H11Cl2NO3S/c17-14-8-12(9-15(18)16(14)20)19-23(21,22)13-6-5-10-3-1-2-4-11(10)7-13/h1-9,19-20H
InChIKeyOEXMVPQZPJUYJS-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.65
Rot. Bonds3

About N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide

N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide (PubChem CID 1137620) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
PubChem CID1137620
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C16H11Cl2NO3S/c17-14-8-12(9-15(18)16(14)20)19-23(21,22)13-6-5-10-3-1-2-4-11(10)7-13/h1-9,19-20H
InChIKeyOEXMVPQZPJUYJS-UHFFFAOYSA-N
XLogP4.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide
CID 2333595
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide (CID 1137620) is N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide?
The InChIKey is OEXMVPQZPJUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c17-14-8-12(9-15(18)16(14)20)19-23(21,22)13-6-5-10-3-1-2-4-11(10)7-13/h1-9,19-20H.
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide?
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide has a molecular weight of 368.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 1137620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).