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

C11H13BrClNO3S — CID 153410023

IUPAC3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide
SMILESNS(=O)(=O)c1c([C@@H]2CC[C@H](O)C2)ccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO3S/c12-9-4-3-8(6-1-2-7(15)5-6)11(10(9)13)18(14,16)17/h3-4,6-7,15H,1-2,5H2,(H2,14,16,17)/t6-,7+/m1/s1
InChIKeyORLAAPMUBGKUHR-RQJHMYQMSA-N
MW354.65 g/mol
LogP2.38
Rot. Bonds2

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

3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide (PubChem CID 153410023) has the molecular formula C11H13BrClNO3S and a molecular weight of 354.65 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide
PubChem CID153410023
Molecular FormulaC11H13BrClNO3S
Molecular Weight354.65 g/mol
Exact Mass352.95
IUPAC Name3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide
SMILESNS(=O)(=O)c1c([C@@H]2CC[C@H](O)C2)ccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO3S/c12-9-4-3-8(6-1-2-7(15)5-6)11(10(9)13)18(14,16)17/h3-4,6-7,15H,1-2,5H2,(H2,14,16,17)/t6-,7+/m1/s1
InChIKeyORLAAPMUBGKUHR-RQJHMYQMSA-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

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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-(2-hydroxyethyl)benzenesulfonamide
CID 153410010
3-bromo-2-chloro-6-[(1R,2R)-2-hydroxycyclopentyl]benzenesulfonamide
CID 153410017
3-Bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide
CID 153410026

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide (CID 153410023) is 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide is NS(=O)(=O)c1c([C@@H]2CC[C@H](O)C2)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide?
The InChIKey is ORLAAPMUBGKUHR-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H13BrClNO3S/c12-9-4-3-8(6-1-2-7(15)5-6)11(10(9)13)18(14,16)17/h3-4,6-7,15H,1-2,5H2,(H2,14,16,17)/t6-,7+/m1/s1.
What are the key properties of 3-bromo-2-chloro-6-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide?
3-bromo-2-chloro-6-[(1R,3S)-3-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,3S)-3-hydroxycyclopentyl]benzenesulfonamide is sourced from PubChem (CID 153410023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).