2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride

C11H8BrFN2O4S2 — CID 116814286

IUPAC2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H8BrFN2O4S2/c12-8-5-9(7-14-6-8)21(18,19)15-10-3-1-2-4-11(10)20(13,16)17/h1-7,15H
InChIKeyLQICROMKBHJALF-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.30
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride

2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride (PubChem CID 116814286) has the molecular formula C11H8BrFN2O4S2 and a molecular weight of 395.23 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride
PubChem CID116814286
Molecular FormulaC11H8BrFN2O4S2
Molecular Weight395.23 g/mol
Exact Mass393.91
IUPAC Name2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H8BrFN2O4S2/c12-8-5-9(7-14-6-8)21(18,19)15-10-3-1-2-4-11(10)20(13,16)17/h1-7,15H
InChIKeyLQICROMKBHJALF-UHFFFAOYSA-N
XLogP2.30
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride 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

5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
CID 81496242
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide
CID 103920613
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814262
5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 154806125
5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
CID 107745988
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
2-[(5-bromo-3-pyridinyl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 64919830
5-bromo-N-phenylmethoxypyridine-3-sulfonamide
CID 64973868
3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide
CID 70636800
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride (CID 116814286) is 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride?
The InChIKey is LQICROMKBHJALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O4S2/c12-8-5-9(7-14-6-8)21(18,19)15-10-3-1-2-4-11(10)20(13,16)17/h1-7,15H.
What are the key properties of 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride?
2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride has a molecular weight of 395.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).