2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C11H7Br2FN2O2S — CID 63903663

IUPAC2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H7Br2FN2O2S/c12-7-1-3-10(9(13)5-7)19(17,18)16-11-4-2-8(14)6-15-11/h1-6H,(H,15,16)
InChIKeyCNAJTACATJSOCH-UHFFFAOYSA-N
MW410.06 g/mol
LogP3.55
Rot. Bonds3

About 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 63903663) has the molecular formula C11H7Br2FN2O2S and a molecular weight of 410.06 g/mol. Its IUPAC name is 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID63903663
Molecular FormulaC11H7Br2FN2O2S
Molecular Weight410.06 g/mol
Exact Mass407.86
IUPAC Name2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H7Br2FN2O2S/c12-7-1-3-10(9(13)5-7)19(17,18)16-11-4-2-8(14)6-15-11/h1-6H,(H,15,16)
InChIKeyCNAJTACATJSOCH-UHFFFAOYSA-N
XLogP3.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.06
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 63903274
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
4-chloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 65482256
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 63903663) is 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cn1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is CNAJTACATJSOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FN2O2S/c12-7-1-3-10(9(13)5-7)19(17,18)16-11-4-2-8(14)6-15-11/h1-6H,(H,15,16).
What are the key properties of 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 410.06 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63903663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).