4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide

C20H18BrNO3S — CID 25094425

IUPAC4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCO)c1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H18BrNO3S/c21-18-8-4-16(5-9-18)17-6-10-20(11-7-17)26(24,25)22-19-3-1-2-15(14-19)12-13-23/h1-11,14,22-23H,12-13H2
InChIKeyJDFHTHCSCMMBDG-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.45
Rot. Bonds6

About 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide

4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 25094425) has the molecular formula C20H18BrNO3S and a molecular weight of 432.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID25094425
Molecular FormulaC20H18BrNO3S
Molecular Weight432.34 g/mol
Exact Mass431.02
IUPAC Name4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCO)c1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H18BrNO3S/c21-18-8-4-16(5-9-18)17-6-10-20(11-7-17)26(24,25)22-19-3-1-2-15(14-19)12-13-23/h1-11,14,22-23H,12-13H2
InChIKeyJDFHTHCSCMMBDG-UHFFFAOYSA-N
XLogP4.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 25094425) is 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCO)c1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is JDFHTHCSCMMBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3S/c21-18-8-4-16(5-9-18)17-6-10-20(11-7-17)26(24,25)22-19-3-1-2-15(14-19)12-13-23/h1-11,14,22-23H,12-13H2.
What are the key properties of 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 432.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25094425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).