2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide

C12H8Cl3NO3S — CID 23275594

IUPAC2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H8Cl3NO3S/c13-8-6-9(14)11(17)12(10(8)15)20(18,19)16-7-4-2-1-3-5-7/h1-6,16-17H
InChIKeyPXCDAADGVTVYBO-UHFFFAOYSA-N
MW352.63 g/mol
LogP4.15
Rot. Bonds3

About 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide

2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide (PubChem CID 23275594) has the molecular formula C12H8Cl3NO3S and a molecular weight of 352.63 g/mol. Its IUPAC name is 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide
PubChem CID23275594
Molecular FormulaC12H8Cl3NO3S
Molecular Weight352.63 g/mol
Exact Mass350.93
IUPAC Name2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H8Cl3NO3S/c13-8-6-9(14)11(17)12(10(8)15)20(18,19)16-7-4-2-1-3-5-7/h1-6,16-17H
InChIKeyPXCDAADGVTVYBO-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

N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
3-chloro-5-hydroxy-N-phenylbenzenesulfonamide
CID 70056195
N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide
CID 5208228
N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 58761533
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
CID 75414770
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide
CID 22763219
2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 39845466
1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 138041549

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide?
The IUPAC name of 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide (CID 23275594) is 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide?
The InChIKey is PXCDAADGVTVYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO3S/c13-8-6-9(14)11(17)12(10(8)15)20(18,19)16-7-4-2-1-3-5-7/h1-6,16-17H.
What are the key properties of 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide?
2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide 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 2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 23275594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).