2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C13H16BrFN2O3S — CID 63929752

IUPAC2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)CC1
InChIInChI=1S/C13H16BrFN2O3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(15)7-11(12(10)14)21(16,19)20/h6-8H,2-5H2,1H3,(H2,16,19,20)
InChIKeyIKHSVLBBQZBMBV-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.11
Rot. Bonds2

About 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 63929752) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID63929752
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)CC1
InChIInChI=1S/C13H16BrFN2O3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(15)7-11(12(10)14)21(16,19)20/h6-8H,2-5H2,1H3,(H2,16,19,20)
InChIKeyIKHSVLBBQZBMBV-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 63933947
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367201
(3R)-1-(2-bromo-5-fluoro-3-sulfamoylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125147601
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 63930591
3-(3,4-dimethylpyrrolidine-1-carbonyl)-2,5-difluorobenzenesulfonamide
CID 79179822
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65366904
2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367099
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
2-bromo-5-fluoro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540926
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 63929752) is 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)CC1.
What is the InChIKey of 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is IKHSVLBBQZBMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c1-8-2-4-17(5-3-8)13(18)10-6-9(15)7-11(12(10)14)21(16,19)20/h6-8H,2-5H2,1H3,(H2,16,19,20).
What are the key properties of 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 379.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 63929752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).