N-(4-bromo-2-fluorophenyl)methanesulfinamide

C7H7BrFNOS — CID 130948637

IUPACN-(4-bromo-2-fluorophenyl)methanesulfinamide
SMILESCS(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFNOS/c1-12(11)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyNMROBTMXXIMLDB-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.29
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)methanesulfinamide

N-(4-bromo-2-fluorophenyl)methanesulfinamide (PubChem CID 130948637) has the molecular formula C7H7BrFNOS and a molecular weight of 252.11 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)methanesulfinamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)methanesulfinamide
PubChem CID130948637
Molecular FormulaC7H7BrFNOS
Molecular Weight252.11 g/mol
Exact Mass250.94
IUPAC NameN-(4-bromo-2-fluorophenyl)methanesulfinamide
SMILESCS(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFNOS/c1-12(11)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyNMROBTMXXIMLDB-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide
CID 130834461
N-(4-cyano-2-fluorophenyl)methanesulfinamide
CID 130948795
(4-bromo-2-fluorophenyl)hydrazine;hydrobromide
CID 138619628
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130588833
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
5-[1-(4-bromo-2-fluoroanilino)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126532251
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60916324
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)methanesulfinamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)methanesulfinamide (CID 130948637) is N-(4-bromo-2-fluorophenyl)methanesulfinamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)methanesulfinamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)methanesulfinamide is CS(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)methanesulfinamide?
The InChIKey is NMROBTMXXIMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNOS/c1-12(11)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)methanesulfinamide?
N-(4-bromo-2-fluorophenyl)methanesulfinamide has a molecular weight of 252.11 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)methanesulfinamide is sourced from PubChem (CID 130948637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).