(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate

C7H3BrClF2NO4S — CID 107103008

IUPAC(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C7H3BrClF2NO4S/c8-3-1-4(10)6(11)5(2-3)16-7(13)12-17(9,14)15/h1-2H,(H,12,13)
InChIKeyZETADXABLFGQEL-UHFFFAOYSA-N
MW350.52 g/mol
LogP2.30
Rot. Bonds2

About (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate

(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate (PubChem CID 107103008) has the molecular formula C7H3BrClF2NO4S and a molecular weight of 350.52 g/mol. Its IUPAC name is (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate
PubChem CID107103008
Molecular FormulaC7H3BrClF2NO4S
Molecular Weight350.52 g/mol
Exact Mass348.86
IUPAC Name(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C7H3BrClF2NO4S/c8-3-1-4(10)6(11)5(2-3)16-7(13)12-17(9,14)15/h1-2H,(H,12,13)
InChIKeyZETADXABLFGQEL-UHFFFAOYSA-N
XLogP2.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.52
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate
CID 116799018
(2-fluorophenyl) N-chlorosulfonylcarbamate
CID 88948321
(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate
CID 116799167
(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
CID 107669992
2-[(5-bromo-2,3-difluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonyl chloride
CID 107102074
4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide
CID 155621555
5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
CID 107100400
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
CID 107097920
[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
CID 116799211
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate (CID 107103008) is (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate is O=C(NS(=O)(=O)Cl)Oc1cc(Br)cc(F)c1F.
What is the InChIKey of (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate?
The InChIKey is ZETADXABLFGQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO4S/c8-3-1-4(10)6(11)5(2-3)16-7(13)12-17(9,14)15/h1-2H,(H,12,13).
What are the key properties of (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate?
(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate has a molecular weight of 350.52 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 107103008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).