(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate

C8H4ClFN2O4S — CID 107669992

IUPAC(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
SMILESN#Cc1ccc(OC(=O)NS(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H4ClFN2O4S/c9-17(14,15)12-8(13)16-7-2-1-5(4-11)3-6(7)10/h1-3H,(H,12,13)
InChIKeyJBGFPNODPSDTFV-UHFFFAOYSA-N
MW278.65 g/mol
LogP1.27
Rot. Bonds2

About (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate

(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate (PubChem CID 107669992) has the molecular formula C8H4ClFN2O4S and a molecular weight of 278.65 g/mol. Its IUPAC name is (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
PubChem CID107669992
Molecular FormulaC8H4ClFN2O4S
Molecular Weight278.65 g/mol
Exact Mass277.96
IUPAC Name(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
SMILESN#Cc1ccc(OC(=O)NS(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H4ClFN2O4S/c9-17(14,15)12-8(13)16-7-2-1-5(4-11)3-6(7)10/h1-3H,(H,12,13)
InChIKeyJBGFPNODPSDTFV-UHFFFAOYSA-N
XLogP1.27
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.65
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyano-2-methylphenyl) N-chlorosulfonylcarbamate
CID 107663068
(2-fluorophenyl) N-chlorosulfonylcarbamate
CID 88948321
(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate
CID 103568502
(4-cyano-2-fluorophenoxy)boronic acid
CID 142767760
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301
5-(4-cyano-2-fluorophenoxy)-3-methylpentane-1-sulfonyl chloride
CID 107668944
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
CID 102722144

Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate (CID 107669992) is (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate is N#Cc1ccc(OC(=O)NS(=O)(=O)Cl)c(F)c1.
What is the InChIKey of (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate?
The InChIKey is JBGFPNODPSDTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O4S/c9-17(14,15)12-8(13)16-7-2-1-5(4-11)3-6(7)10/h1-3H,(H,12,13).
What are the key properties of (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate?
(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate has a molecular weight of 278.65 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 107669992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).