N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide

C9H11BrFNOS — CID 130935073

IUPACN-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide
SMILESCCS(=O)Nc1cc(C)c(Br)cc1F
InChIInChI=1S/C9H11BrFNOS/c1-3-14(13)12-9-4-6(2)7(10)5-8(9)11/h4-5,12H,3H2,1-2H3
InChIKeyZOYJWMZEWJTBCN-UHFFFAOYSA-N
MW280.16 g/mol
LogP2.99
Rot. Bonds3

About N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide

N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide (PubChem CID 130935073) has the molecular formula C9H11BrFNOS and a molecular weight of 280.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide
PubChem CID130935073
Molecular FormulaC9H11BrFNOS
Molecular Weight280.16 g/mol
Exact Mass278.97
IUPAC NameN-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide
SMILESCCS(=O)Nc1cc(C)c(Br)cc1F
InChIInChI=1S/C9H11BrFNOS/c1-3-14(13)12-9-4-6(2)7(10)5-8(9)11/h4-5,12H,3H2,1-2H3
InChIKeyZOYJWMZEWJTBCN-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoro-5-methylphenyl)ethanesulfinamide
CID 130992623
(4-bromo-2-fluoro-5-methylphenyl)hydrazine
CID 68557419
N-(4-bromo-2-methylphenyl)ethanesulfinamide
CID 131137861
N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide
CID 130562660
N-(3-amino-4-bromophenyl)ethanesulfinamide
CID 130892447
ethyl N-[2-(4-bromo-2-fluoro-5-methylphenyl)acetyl]carbamate
CID 164544890
N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide
CID 175572730
(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 171906157
4-bromo-2-fluoro-5-methylaniline;ethane
CID 177009828
2-(ethylsulfinylamino)-4-fluorobenzoic acid
CID 131165546
N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide
CID 130762737
4-bromo-2,5-difluoro-N-heptan-4-ylaniline
CID 107609941

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide?
The IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide (CID 130935073) is N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide.
What is the SMILES notation for N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide?
The canonical SMILES for N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide is CCS(=O)Nc1cc(C)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide?
The InChIKey is ZOYJWMZEWJTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNOS/c1-3-14(13)12-9-4-6(2)7(10)5-8(9)11/h4-5,12H,3H2,1-2H3.
What are the key properties of N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide?
N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide has a molecular weight of 280.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide is sourced from PubChem (CID 130935073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).