4-bromo-N-pyrimidin-2-ylbenzenesulfonamide

C10H8BrN3O2S — CID 5081760

IUPAC4-bromo-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(Br)cc1
InChIInChI=1S/C10H8BrN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14)
InChIKeyDYOFXXWJWVBLHW-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.04
Rot. Bonds3

About 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide

4-bromo-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 5081760) has the molecular formula C10H8BrN3O2S and a molecular weight of 314.16 g/mol. Its IUPAC name is 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID5081760
Molecular FormulaC10H8BrN3O2S
Molecular Weight314.16 g/mol
Exact Mass312.95
IUPAC Name4-bromo-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(Br)cc1
InChIInChI=1S/C10H8BrN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14)
InChIKeyDYOFXXWJWVBLHW-UHFFFAOYSA-N
XLogP2.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzenesulfonamidopyrimidine
CID 152190
4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
2-Tosyliminopyrimidine
CID 403569
acs.jmedchem.1c00409_ST.216
CID 145962001
4-Chloro-N-pyrimidin-2-yl-benzenesulfonamide
CID 935725
N-(2-pyrimidin-2-ylsulfanylpropyl)benzenesulfonamide
CID 4459245
2-[4-(Benzenesulfonyl)piperazin-1-yl]pyrimidine
CID 4669887
2-[4-(2-Bromophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 4826066
4-bromo-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
CID 717552
N-(4-methyl-2-pyrimidinyl)benzenesulfonamide
CID 2218567
4-fluoro-N-(pyrimidin-2-yl)benzenesulfonamide
CID 669150
4-bromo-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzenesulfonamide
CID 1987138

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide (CID 5081760) is 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is DYOFXXWJWVBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14).
What are the key properties of 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide?
4-bromo-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 314.16 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 5081760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).