2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide

C12H8Cl3NO3S — CID 39845466

IUPAC2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3NO3S/c13-9-5-11(15)12(6-10(9)14)20(18,19)16-7-2-1-3-8(17)4-7/h1-6,16-17H
InChIKeyZJJINTNJLYQLHN-UHFFFAOYSA-N
MW352.63 g/mol
LogP4.15
Rot. Bonds3

About 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide

2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 39845466) has the molecular formula C12H8Cl3NO3S and a molecular weight of 352.63 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID39845466
Molecular FormulaC12H8Cl3NO3S
Molecular Weight352.63 g/mol
Exact Mass350.93
IUPAC Name2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3NO3S/c13-9-5-11(15)12(6-10(9)14)20(18,19)16-7-2-1-3-8(17)4-7/h1-6,16-17H
InChIKeyZJJINTNJLYQLHN-UHFFFAOYSA-N
XLogP4.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
N-(3-hydroxyphenyl)sulfamoyl chloride
CID 84760564
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
2,4,5-trichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202651
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
4-amino-2-cyano-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166320

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide (CID 39845466) is 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(O)c1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is ZJJINTNJLYQLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO3S/c13-9-5-11(15)12(6-10(9)14)20(18,19)16-7-2-1-3-8(17)4-7/h1-6,16-17H.
What are the key properties of 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide?
2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 352.63 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 39845466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).