4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide

C14H13BrN2O3S — CID 103907893

IUPAC4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-9-13(7-8-14(15)16-9)17-21(19,20)12-5-3-11(4-6-12)10(2)18/h3-8,17H,1-2H3
InChIKeySROVTYPJPDNVNB-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.16
Rot. Bonds4

About 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide

4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 103907893) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID103907893
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-9-13(7-8-14(15)16-9)17-21(19,20)12-5-3-11(4-6-12)10(2)18/h3-8,17H,1-2H3
InChIKeySROVTYPJPDNVNB-UHFFFAOYSA-N
XLogP3.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(6-bromo-2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103907841
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10434326
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103907913
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide
CID 103908703
4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 167825976
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
CID 110777599
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide (CID 103907893) is 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1.
What is the InChIKey of 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is SROVTYPJPDNVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-9-13(7-8-14(15)16-9)17-21(19,20)12-5-3-11(4-6-12)10(2)18/h3-8,17H,1-2H3.
What are the key properties of 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide?
4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 369.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103907893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).