N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine

C10H10BrF2NO2S — CID 43347704

IUPACN-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C10H10BrF2NO2S/c11-8-3-6(12)4-9(13)10(8)14-7-1-2-17(15,16)5-7/h3-4,7,14H,1-2,5H2
InChIKeyCEZPVPARLMJCNZ-UHFFFAOYSA-N
MW326.16 g/mol
LogP2.33
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine

N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine (PubChem CID 43347704) has the molecular formula C10H10BrF2NO2S and a molecular weight of 326.16 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine
PubChem CID43347704
Molecular FormulaC10H10BrF2NO2S
Molecular Weight326.16 g/mol
Exact Mass324.96
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C10H10BrF2NO2S/c11-8-3-6(12)4-9(13)10(8)14-7-1-2-17(15,16)5-7/h3-4,7,14H,1-2,5H2
InChIKeyCEZPVPARLMJCNZ-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 107633424
2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline
CID 43168287
N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine
CID 114817235
1,1-dioxo-N-(2,4,5-trifluorophenyl)thiolan-3-amine
CID 55118632
2-bromo-N-(1,1-dioxothian-4-yl)-4,6-difluorobenzenesulfonamide
CID 60824231
2-bromo-N-(1,1-dioxothian-3-yl)-4,6-difluorobenzenesulfonamide
CID 63924568
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
N-(2-bromo-5-chlorophenyl)-1,1-dioxothiolan-3-amine
CID 81263687
2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447963
8-N-(1,1-dioxothiolan-3-yl)-7-fluoroquinoline-5,8-diamine
CID 83174233
N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine
CID 65089523
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine (CID 43347704) is N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(Nc2c(F)cc(F)cc2Br)C1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine?
The InChIKey is CEZPVPARLMJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2S/c11-8-3-6(12)4-9(13)10(8)14-7-1-2-17(15,16)5-7/h3-4,7,14H,1-2,5H2.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine?
N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine has a molecular weight of 326.16 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43347704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).