4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide

C12H10BrNO3S — CID 875203

IUPAC4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H
InChIKeyYSILONFCVSXASD-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.96
Rot. Bonds3

About 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide

4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 875203) has the molecular formula C12H10BrNO3S and a molecular weight of 328.19 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID875203
Molecular FormulaC12H10BrNO3S
Molecular Weight328.19 g/mol
Exact Mass326.96
IUPAC Name4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H
InChIKeyYSILONFCVSXASD-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.96
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

N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide (CID 875203) is 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is YSILONFCVSXASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H.
What are the key properties of 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide?
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 875203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).