(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate

C7H3Br3ClNO4S — CID 116799018

IUPAC(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H3Br3ClNO4S/c8-3-1-4(9)6(5(10)2-3)16-7(13)12-17(11,14)15/h1-2H,(H,12,13)
InChIKeyYRVGXDBJCHUTQW-UHFFFAOYSA-N
MW472.34 g/mol
LogP3.55
Rot. Bonds2

About (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate

(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate (PubChem CID 116799018) has the molecular formula C7H3Br3ClNO4S and a molecular weight of 472.34 g/mol. Its IUPAC name is (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate
PubChem CID116799018
Molecular FormulaC7H3Br3ClNO4S
Molecular Weight472.34 g/mol
Exact Mass468.70
IUPAC Name(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H3Br3ClNO4S/c8-3-1-4(9)6(5(10)2-3)16-7(13)12-17(11,14)15/h1-2H,(H,12,13)
InChIKeyYRVGXDBJCHUTQW-UHFFFAOYSA-N
XLogP3.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate
CID 107103008
(2,4,6-tribromophenyl) 2,2-dichloroacetate
CID 14365696
(2,4,5-trichlorophenyl) N-chlorosulfonylcarbamate
CID 116799063
(2,4,6-tribromophenyl) 3,5-dibromobenzoate
CID 19911714
(2,4,6-tribromophenyl) propanoate
CID 3018659
1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene
CID 138377093
(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate
CID 116799170
(2-fluorophenyl) N-chlorosulfonylcarbamate
CID 88948321
3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxypropane-1-sulfonic acid
CID 157183473
(2,4,6-tribromophenyl) benzoate
CID 13070430
(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate
CID 116799167
(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4685388

Frequently Asked Questions

What is the IUPAC name of (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate (CID 116799018) is (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate is O=C(NS(=O)(=O)Cl)Oc1c(Br)cc(Br)cc1Br.
What is the InChIKey of (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate?
The InChIKey is YRVGXDBJCHUTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br3ClNO4S/c8-3-1-4(9)6(5(10)2-3)16-7(13)12-17(11,14)15/h1-2H,(H,12,13).
What are the key properties of (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate?
(2,4,6-tribromophenyl) N-chlorosulfonylcarbamate has a molecular weight of 472.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-tribromophenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 116799018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).