2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide

C11H7BrF2N2O2S — CID 103098234

IUPAC2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1F)c1ccccc1Br
InChIInChI=1S/C11H7BrF2N2O2S/c12-7-3-1-2-4-9(7)19(17,18)16-8-5-6-10(13)15-11(8)14/h1-6,16H
InChIKeyVPCKUQZNEABVRC-UHFFFAOYSA-N
MW349.16 g/mol
LogP2.92
Rot. Bonds3

About 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide

2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide (PubChem CID 103098234) has the molecular formula C11H7BrF2N2O2S and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
PubChem CID103098234
Molecular FormulaC11H7BrF2N2O2S
Molecular Weight349.16 g/mol
Exact Mass347.94
IUPAC Name2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1F)c1ccccc1Br
InChIInChI=1S/C11H7BrF2N2O2S/c12-7-3-1-2-4-9(7)19(17,18)16-8-5-6-10(13)15-11(8)14/h1-6,16H
InChIKeyVPCKUQZNEABVRC-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
CID 103098172
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
CID 61063205
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide (CID 103098234) is 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)nc1F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide?
The InChIKey is VPCKUQZNEABVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2S/c12-7-3-1-2-4-9(7)19(17,18)16-8-5-6-10(13)15-11(8)14/h1-6,16H.
What are the key properties of 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide?
2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide has a molecular weight of 349.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103098234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).