N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide

C13H11BrN2O3S — CID 166442519

IUPACN-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccccn2)c(Br)c1
InChIInChI=1S/C13H11BrN2O3S/c1-9(17)10-5-6-12(11(14)8-10)16-20(18,19)13-4-2-3-7-15-13/h2-8,16H,1H3
InChIKeySFGOGLUOAUKMDD-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.85
Rot. Bonds4

About N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide

N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide (PubChem CID 166442519) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide
PubChem CID166442519
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC NameN-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccccn2)c(Br)c1
InChIInChI=1S/C13H11BrN2O3S/c1-9(17)10-5-6-12(11(14)8-10)16-20(18,19)13-4-2-3-7-15-13/h2-8,16H,1H3
InChIKeySFGOGLUOAUKMDD-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

N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
3-cyano-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
CID 68982273
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 107790886
4-acetyl-2-bromo-N-methylbenzenesulfonamide
CID 157311179
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10434326
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 51944656
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
4-chloro-2-iodoaniline;N-(4-chloro-2-iodophenyl)pyridine-2-sulfonamide
CID 161099049

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide?
The IUPAC name of N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide (CID 166442519) is N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccccn2)c(Br)c1.
What is the InChIKey of N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide?
The InChIKey is SFGOGLUOAUKMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c1-9(17)10-5-6-12(11(14)8-10)16-20(18,19)13-4-2-3-7-15-13/h2-8,16H,1H3.
What are the key properties of N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide?
N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide 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 N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 166442519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).