3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide

C8H9BrClNO3S — CID 153410010

IUPAC3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CCO)ccc(Br)c1Cl
InChIInChI=1S/C8H9BrClNO3S/c9-6-2-1-5(3-4-12)8(7(6)10)15(11,13)14/h1-2,12H,3-4H2,(H2,11,13,14)
InChIKeyYEDRKFFMFLLDBL-UHFFFAOYSA-N
MW314.59 g/mol
LogP1.28
Rot. Bonds3

About 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide

3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 153410010) has the molecular formula C8H9BrClNO3S and a molecular weight of 314.59 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide
PubChem CID153410010
Molecular FormulaC8H9BrClNO3S
Molecular Weight314.59 g/mol
Exact Mass312.92
IUPAC Name3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CCO)ccc(Br)c1Cl
InChIInChI=1S/C8H9BrClNO3S/c9-6-2-1-5(3-4-12)8(7(6)10)15(11,13)14/h1-2,12H,3-4H2,(H2,11,13,14)
InChIKeyYEDRKFFMFLLDBL-UHFFFAOYSA-N
XLogP1.28
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-6-[(1R,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 153409997
3-Bromo-2-chloro-6-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
CID 153410008
3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide
CID 153410017
3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide
CID 153410023
3-Bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide
CID 153410026

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide (CID 153410010) is 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide is NS(=O)(=O)c1c(CCO)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is YEDRKFFMFLLDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO3S/c9-6-2-1-5(3-4-12)8(7(6)10)15(11,13)14/h1-2,12H,3-4H2,(H2,11,13,14).
What are the key properties of 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide?
3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 314.59 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 153410010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).