3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide

C12H8Cl3NO3S — CID 82885473

IUPAC3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8Cl3NO3S/c13-7-2-1-3-9(4-7)20(18,19)16-8-5-10(14)12(17)11(15)6-8/h1-6,16-17H
InChIKeyPBPJZNIQAOWOHK-UHFFFAOYSA-N
MW352.63 g/mol
LogP4.15
Rot. Bonds3

About 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide

3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 82885473) has the molecular formula C12H8Cl3NO3S and a molecular weight of 352.63 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID82885473
Molecular FormulaC12H8Cl3NO3S
Molecular Weight352.63 g/mol
Exact Mass350.93
IUPAC Name3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8Cl3NO3S/c13-7-2-1-3-9(4-7)20(18,19)16-8-5-10(14)12(17)11(15)6-8/h1-6,16-17H
InChIKeyPBPJZNIQAOWOHK-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': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 58761533
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
CID 79822200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide (CID 82885473) is 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is PBPJZNIQAOWOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO3S/c13-7-2-1-3-9(4-7)20(18,19)16-8-5-10(14)12(17)11(15)6-8/h1-6,16-17H.
What are the key properties of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
3-chloro-N-(3,5-dichloro-4-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 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 82885473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).