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

C12H15BrClNO3S — CID 153410026

IUPAC3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CCCC(O)C2)ccc(Br)c1Cl
InChIInChI=1S/C12H15BrClNO3S/c13-10-5-4-9(7-2-1-3-8(16)6-7)12(11(10)14)19(15,17)18/h4-5,7-8,16H,1-3,6H2,(H2,15,17,18)
InChIKeyUHUDSEBTJIKUKU-UHFFFAOYSA-N
MW368.68 g/mol
LogP2.77
Rot. Bonds2

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

3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 153410026) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide
PubChem CID153410026
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CCCC(O)C2)ccc(Br)c1Cl
InChIInChI=1S/C12H15BrClNO3S/c13-10-5-4-9(7-2-1-3-8(16)6-7)12(11(10)14)19(15,17)18/h4-5,7-8,16H,1-3,6H2,(H2,15,17,18)
InChIKeyUHUDSEBTJIKUKU-UHFFFAOYSA-N
XLogP2.77
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide
CID 144695823
3-bromo-2-chloro-6-[(1R,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 153409997
3-Bromo-2-chloro-6-phenylbenzenesulfonamide
CID 153410000
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-[(1R,3S)-3-hydroxycyclopentyl]benzenesulfonamide
CID 153410023

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide (CID 153410026) is 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide is NS(=O)(=O)c1c(C2CCCC(O)C2)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is UHUDSEBTJIKUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c13-10-5-4-9(7-2-1-3-8(16)6-7)12(11(10)14)19(15,17)18/h4-5,7-8,16H,1-3,6H2,(H2,15,17,18).
What are the key properties of 3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide?
3-bromo-2-chloro-6-(3-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 368.68 g/mol, XLogP of 2.77, 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-(3-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 153410026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).