N-(3-bromophenyl)-2-fluorobenzenesulfonamide

C12H9BrFNO2S — CID 4788445

IUPACN-(3-bromophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C12H9BrFNO2S/c13-9-4-3-5-10(8-9)15-18(16,17)12-7-2-1-6-11(12)14/h1-8,15H
InChIKeyDOXAHWAVBZYEBV-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.39
Rot. Bonds3

About N-(3-bromophenyl)-2-fluorobenzenesulfonamide

N-(3-bromophenyl)-2-fluorobenzenesulfonamide (PubChem CID 4788445) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-fluorobenzenesulfonamide
PubChem CID4788445
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC NameN-(3-bromophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C12H9BrFNO2S/c13-9-4-3-5-10(8-9)15-18(16,17)12-7-2-1-6-11(12)14/h1-8,15H
InChIKeyDOXAHWAVBZYEBV-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
CID 62057135
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-2-fluorobenzenesulfonamide (CID 4788445) is N-(3-bromophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Br)c1)c1ccccc1F.
What is the InChIKey of N-(3-bromophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is DOXAHWAVBZYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-9-4-3-5-10(8-9)15-18(16,17)12-7-2-1-6-11(12)14/h1-8,15H.
What are the key properties of N-(3-bromophenyl)-2-fluorobenzenesulfonamide?
N-(3-bromophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 330.18 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 4788445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).