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

C13H16BrFN2O3S — CID 65373226

IUPAC2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3S/c1-8-4-2-3-5-17(8)13(18)9-6-12(21(16,19)20)10(14)7-11(9)15/h6-8H,2-5H2,1H3,(H2,16,19,20)
InChIKeyHMKZZZMFCVQHMM-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.25
Rot. Bonds2

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

2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 65373226) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID65373226
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3S/c1-8-4-2-3-5-17(8)13(18)9-6-12(21(16,19)20)10(14)7-11(9)15/h6-8H,2-5H2,1H3,(H2,16,19,20)
InChIKeyHMKZZZMFCVQHMM-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 103540977
2-chloro-5,6-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388382
(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 172913966
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388192
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369072
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 65373226) is 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is HMKZZZMFCVQHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c1-8-4-2-3-5-17(8)13(18)9-6-12(21(16,19)20)10(14)7-11(9)15/h6-8H,2-5H2,1H3,(H2,16,19,20).
What are the key properties of 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 379.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65373226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).