2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide

C10H6BrClFN3O2S — CID 113456932

IUPAC2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cncc(Cl)n1)c1ccc(F)cc1Br
InChIInChI=1S/C10H6BrClFN3O2S/c11-7-3-6(13)1-2-8(7)19(17,18)16-10-5-14-4-9(12)15-10/h1-5H,(H,15,16)
InChIKeyJAQBPSFUJMRTIR-UHFFFAOYSA-N
MW366.60 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide

2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 113456932) has the molecular formula C10H6BrClFN3O2S and a molecular weight of 366.60 g/mol. Its IUPAC name is 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
PubChem CID113456932
Molecular FormulaC10H6BrClFN3O2S
Molecular Weight366.60 g/mol
Exact Mass364.90
IUPAC Name2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cncc(Cl)n1)c1ccc(F)cc1Br
InChIInChI=1S/C10H6BrClFN3O2S/c11-7-3-6(13)1-2-8(7)19(17,18)16-10-5-14-4-9(12)15-10/h1-5H,(H,15,16)
InChIKeyJAQBPSFUJMRTIR-UHFFFAOYSA-N
XLogP2.83
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 104821040
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 113456936
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide (CID 113456932) is 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cncc(Cl)n1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is JAQBPSFUJMRTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O2S/c11-7-3-6(13)1-2-8(7)19(17,18)16-10-5-14-4-9(12)15-10/h1-5H,(H,15,16).
What are the key properties of 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide?
2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 366.60 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113456932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).