2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide

C10H8BrFN4O2S — CID 106491327

IUPAC2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H8BrFN4O2S/c11-6-4-9(8(13)5-7(6)12)19(17,18)16-10-14-2-1-3-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyMBCVOSODTOVDFT-UHFFFAOYSA-N
MW347.17 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide

2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 106491327) has the molecular formula C10H8BrFN4O2S and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID106491327
Molecular FormulaC10H8BrFN4O2S
Molecular Weight347.17 g/mol
Exact Mass345.95
IUPAC Name2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H8BrFN4O2S/c11-6-4-9(8(13)5-7(6)12)19(17,18)16-10-14-2-1-3-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyMBCVOSODTOVDFT-UHFFFAOYSA-N
XLogP1.76
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 106491773
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 106491675
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
3-amino-4-bromo-5-chloro-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 103077216
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491423
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 106491308
2-amino-5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 106491632
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 106491482

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide (CID 106491327) is 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is MBCVOSODTOVDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O2S/c11-6-4-9(8(13)5-7(6)12)19(17,18)16-10-14-2-1-3-15-10/h1-5H,13H2,(H,14,15,16).
What are the key properties of 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 347.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106491327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).