N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide

C12H15BrF2N2O2S — CID 155194194

IUPACN-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide
SMILESCN1CCCC(S(=O)(=O)Nc2ccc(F)c(Br)c2F)C1
InChIInChI=1S/C12H15BrF2N2O2S/c1-17-6-2-3-8(7-17)20(18,19)16-10-5-4-9(14)11(13)12(10)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyOFWPFZIHZLGEAR-UHFFFAOYSA-N
MW369.23 g/mol
LogP2.56
Rot. Bonds3

About N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide

N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide (PubChem CID 155194194) has the molecular formula C12H15BrF2N2O2S and a molecular weight of 369.23 g/mol. Its IUPAC name is N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide
PubChem CID155194194
Molecular FormulaC12H15BrF2N2O2S
Molecular Weight369.23 g/mol
Exact Mass368.00
IUPAC NameN-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide
SMILESCN1CCCC(S(=O)(=O)Nc2ccc(F)c(Br)c2F)C1
InChIInChI=1S/C12H15BrF2N2O2S/c1-17-6-2-3-8(7-17)20(18,19)16-10-5-4-9(14)11(13)12(10)15/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyOFWPFZIHZLGEAR-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide?
The IUPAC name of N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide (CID 155194194) is N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide?
The canonical SMILES for N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide is CN1CCCC(S(=O)(=O)Nc2ccc(F)c(Br)c2F)C1.
What is the InChIKey of N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide?
The InChIKey is OFWPFZIHZLGEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O2S/c1-17-6-2-3-8(7-17)20(18,19)16-10-5-4-9(14)11(13)12(10)15/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide?
N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide has a molecular weight of 369.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,4-difluorophenyl)-1-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 155194194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).