N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide

C12H9BrClNO3S — CID 1070505

IUPACN-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H
InChIKeyQKOJOSJRCLQDAW-UHFFFAOYSA-N
MW362.63 g/mol
LogP3.61
Rot. Bonds3

About N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide

N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide (PubChem CID 1070505) has the molecular formula C12H9BrClNO3S and a molecular weight of 362.63 g/mol. Its IUPAC name is N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide
PubChem CID1070505
Molecular FormulaC12H9BrClNO3S
Molecular Weight362.63 g/mol
Exact Mass360.92
IUPAC NameN-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H
InChIKeyQKOJOSJRCLQDAW-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': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide (CID 1070505) is N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide?
The InChIKey is QKOJOSJRCLQDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H.
What are the key properties of N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide?
N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide 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 N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 1070505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).