5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide

C12H16BrNO3S — CID 144695823

IUPAC5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1C1CCC(O)CC1
InChIInChI=1S/C12H16BrNO3S/c13-9-3-6-11(12(7-9)18(14,16)17)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2,(H2,14,16,17)
InChIKeyDVXVQAQOAWGRMO-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.12
Rot. Bonds2

About 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide

5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 144695823) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID144695823
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1C1CCC(O)CC1
InChIInChI=1S/C12H16BrNO3S/c13-9-3-6-11(12(7-9)18(14,16)17)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2,(H2,14,16,17)
InChIKeyDVXVQAQOAWGRMO-UHFFFAOYSA-N
XLogP2.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide (CID 144695823) is 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide is NS(=O)(=O)c1cc(Br)ccc1C1CCC(O)CC1.
What is the InChIKey of 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is DVXVQAQOAWGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c13-9-3-6-11(12(7-9)18(14,16)17)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2,(H2,14,16,17).
What are the key properties of 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide?
5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 144695823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).