2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide

C11H7Br2ClN2O2S — CID 114269290

IUPAC2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1Br)c1c(Cl)cccc1Br
InChIInChI=1S/C11H7Br2ClN2O2S/c12-7-3-1-5-9(14)10(7)19(17,18)16-11-8(13)4-2-6-15-11/h1-6H,(H,15,16)
InChIKeyNAHANPYCTVYADS-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.06
Rot. Bonds3

About 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide

2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide (PubChem CID 114269290) has the molecular formula C11H7Br2ClN2O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide
PubChem CID114269290
Molecular FormulaC11H7Br2ClN2O2S
Molecular Weight426.52 g/mol
Exact Mass423.83
IUPAC Name2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncccc1Br)c1c(Cl)cccc1Br
InChIInChI=1S/C11H7Br2ClN2O2S/c12-7-3-1-5-9(14)10(7)19(17,18)16-11-8(13)4-2-6-15-11/h1-6H,(H,15,16)
InChIKeyNAHANPYCTVYADS-UHFFFAOYSA-N
XLogP4.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 2809496
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
4-chloro-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 898366
5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)-3-pyridinesulfonamide
CID 1034221
((2,5-Dichlorophenyl)sulfonyl)-2-pyridylamine
CID 669153
5-bromo-6-chloro-N-(pyridin-2-yl)pyridine-3-sulfonamide
CID 942964
5-bromo-6-chloro-N-(5-chloro-2-pyridinyl)-3-pyridinesulfonamide
CID 1034231
5-bromo-6-chloro-N-(6-methylpyridin-2-yl)pyridine-3-sulfonamide
CID 1034215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide (CID 114269290) is 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide is O=S(=O)(Nc1ncccc1Br)c1c(Cl)cccc1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide?
The InChIKey is NAHANPYCTVYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2O2S/c12-7-3-1-5-9(14)10(7)19(17,18)16-11-8(13)4-2-6-15-11/h1-6H,(H,15,16).
What are the key properties of 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide?
2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide has a molecular weight of 426.52 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide is sourced from PubChem (CID 114269290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).