4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide

C14H14BrNO3S — CID 110605294

IUPAC4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO3S/c15-12-5-7-13(8-6-12)20(18,19)16-10-9-11-3-1-2-4-14(11)17/h1-8,16-17H,9-10H2
InChIKeyYTUCSHOCFCVBBZ-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.68
Rot. Bonds5

About 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide

4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 110605294) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID110605294
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO3S/c15-12-5-7-13(8-6-12)20(18,19)16-10-9-11-3-1-2-4-14(11)17/h1-8,16-17H,9-10H2
InChIKeyYTUCSHOCFCVBBZ-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
4-cyclopentyloxy-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605334
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
N-[2-(2-hydroxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110605313
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide (CID 110605294) is 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccccc1O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is YTUCSHOCFCVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c15-12-5-7-13(8-6-12)20(18,19)16-10-9-11-3-1-2-4-14(11)17/h1-8,16-17H,9-10H2.
What are the key properties of 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110605294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).