3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide

C12H9BrClNO3S — CID 28973441

IUPAC3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1cccc(Br)c1
InChIInChI=1S/C12H9BrClNO3S/c13-8-2-1-3-10(6-8)19(17,18)15-11-7-9(14)4-5-12(11)16/h1-7,15-16H
InChIKeyBYEKHFXVAPCFIJ-UHFFFAOYSA-N
MW362.63 g/mol
LogP3.61
Rot. Bonds3

About 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide

3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 28973441) has the molecular formula C12H9BrClNO3S and a molecular weight of 362.63 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID28973441
Molecular FormulaC12H9BrClNO3S
Molecular Weight362.63 g/mol
Exact Mass360.92
IUPAC Name3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1cccc(Br)c1
InChIInChI=1S/C12H9BrClNO3S/c13-8-2-1-3-10(6-8)19(17,18)15-11-7-9(14)4-5-12(11)16/h1-7,15-16H
InChIKeyBYEKHFXVAPCFIJ-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.63
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide (CID 28973441) is 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is BYEKHFXVAPCFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3S/c13-8-2-1-3-10(6-8)19(17,18)15-11-7-9(14)4-5-12(11)16/h1-7,15-16H.
What are the key properties of 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide?
3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 362.63 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 28973441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).