3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide

C13H11BrN2O3S — CID 102671942

IUPAC3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C13H11BrN2O3S/c1-9(17)10-3-2-4-12(7-10)20(18,19)16-13-8-11(14)5-6-15-13/h2-8H,1H3,(H,15,16)
InChIKeySXZWIRVECYSXGZ-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.85
Rot. Bonds4

About 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide

3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide (PubChem CID 102671942) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
PubChem CID102671942
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C13H11BrN2O3S/c1-9(17)10-3-2-4-12(7-10)20(18,19)16-13-8-11(14)5-6-15-13/h2-8H,1H3,(H,15,16)
InChIKeySXZWIRVECYSXGZ-UHFFFAOYSA-N
XLogP2.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide
CID 102671827
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990181
3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 102671955
3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944136
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
3-[(4-methyl-2-pyridinyl)sulfamoyl]-N-phenylbenzamide
CID 27187007
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55645265
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide (CID 102671942) is 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2cc(Br)ccn2)c1.
What is the InChIKey of 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide?
The InChIKey is SXZWIRVECYSXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c1-9(17)10-3-2-4-12(7-10)20(18,19)16-13-8-11(14)5-6-15-13/h2-8H,1H3,(H,15,16).
What are the key properties of 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide?
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide has a molecular weight of 355.21 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 102671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).