5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide

C12H16BrFN2O2S — CID 120586069

IUPAC5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc(Br)ccc2F)CCN1
InChIInChI=1S/C12H16BrFN2O2S/c1-8-6-10(4-5-15-8)16-19(17,18)12-7-9(13)2-3-11(12)14/h2-3,7-8,10,15-16H,4-6H2,1H3
InChIKeyCFBDJVRXPXGEMF-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.01
Rot. Bonds3

About 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide

5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 120586069) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID120586069
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC Name5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc(Br)ccc2F)CCN1
InChIInChI=1S/C12H16BrFN2O2S/c1-8-6-10(4-5-15-8)16-19(17,18)12-7-9(13)2-3-11(12)14/h2-3,7-8,10,15-16H,4-6H2,1H3
InChIKeyCFBDJVRXPXGEMF-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
5-chloro-N-(2-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 120585645
2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995781
N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
CID 120713766
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120713789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide (CID 120586069) is 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2cc(Br)ccc2F)CCN1.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is CFBDJVRXPXGEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c1-8-6-10(4-5-15-8)16-19(17,18)12-7-9(13)2-3-11(12)14/h2-3,7-8,10,15-16H,4-6H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 351.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 120586069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).