3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide

C11H13BrClNO3S — CID 153410017

IUPAC3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide
SMILESNS(=O)(=O)c1c([C@H]2CCC[C@H]2O)ccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO3S/c12-8-5-4-7(6-2-1-3-9(6)15)11(10(8)13)18(14,16)17/h4-6,9,15H,1-3H2,(H2,14,16,17)/t6-,9-/m1/s1
InChIKeyPUNPXHHDSHYRPI-HZGVNTEJSA-N
MW354.65 g/mol
LogP2.38
Rot. Bonds2

About 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide

3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide (PubChem CID 153410017) has the molecular formula C11H13BrClNO3S and a molecular weight of 354.65 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide
PubChem CID153410017
Molecular FormulaC11H13BrClNO3S
Molecular Weight354.65 g/mol
Exact Mass352.95
IUPAC Name3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide
SMILESNS(=O)(=O)c1c([C@H]2CCC[C@H]2O)ccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO3S/c12-8-5-4-7(6-2-1-3-9(6)15)11(10(8)13)18(14,16)17/h4-6,9,15H,1-3H2,(H2,14,16,17)/t6-,9-/m1/s1
InChIKeyPUNPXHHDSHYRPI-HZGVNTEJSA-N
XLogP2.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide (CID 153410017) is 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide is NS(=O)(=O)c1c([C@H]2CCC[C@H]2O)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide?
The InChIKey is PUNPXHHDSHYRPI-HZGVNTEJSA-N. The full InChI is InChI=1S/C11H13BrClNO3S/c12-8-5-4-7(6-2-1-3-9(6)15)11(10(8)13)18(14,16)17/h4-6,9,15H,1-3H2,(H2,14,16,17)/t6-,9-/m1/s1.
What are the key properties of 3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide?
3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide has a molecular weight of 354.65 g/mol, XLogP of 2.38, 2 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-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide is sourced from PubChem (CID 153410017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).