(2-fluorophenyl) N-chlorosulfonylcarbamate

C7H5ClFNO4S — CID 88948321

IUPAC(2-fluorophenyl) N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1ccccc1F
InChIInChI=1S/C7H5ClFNO4S/c8-15(12,13)10-7(11)14-6-4-2-1-3-5(6)9/h1-4H,(H,10,11)
InChIKeyIBCSBIQNAMEPEG-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.40
Rot. Bonds2

About (2-fluorophenyl) N-chlorosulfonylcarbamate

(2-fluorophenyl) N-chlorosulfonylcarbamate (PubChem CID 88948321) has the molecular formula C7H5ClFNO4S and a molecular weight of 253.64 g/mol. Its IUPAC name is (2-fluorophenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(2-fluorophenyl) N-chlorosulfonylcarbamate
PubChem CID88948321
Molecular FormulaC7H5ClFNO4S
Molecular Weight253.64 g/mol
Exact Mass252.96
IUPAC Name(2-fluorophenyl) N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1ccccc1F
InChIInChI=1S/C7H5ClFNO4S/c8-15(12,13)10-7(11)14-6-4-2-1-3-5(6)9/h1-4H,(H,10,11)
InChIKeyIBCSBIQNAMEPEG-UHFFFAOYSA-N
XLogP1.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyano-2-fluorophenyl) N-chlorosulfonylcarbamate
CID 107669992
(2-fluorophenyl) N-ethylcarbamate
CID 127543525
(2-nitro-3-pyridinyl) N-chlorosulfonylcarbamate
CID 116799080
(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 3642626
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075
[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
CID 116799211
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
CID 91452013
(2-fluorophenyl) N-morpholin-4-ylcarbamate
CID 69134552
bis(2-fluorophenyl) hexanedioate
CID 91704928
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (2-fluorophenyl) N-chlorosulfonylcarbamate (CID 88948321) is (2-fluorophenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (2-fluorophenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (2-fluorophenyl) N-chlorosulfonylcarbamate is O=C(NS(=O)(=O)Cl)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) N-chlorosulfonylcarbamate?
The InChIKey is IBCSBIQNAMEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO4S/c8-15(12,13)10-7(11)14-6-4-2-1-3-5(6)9/h1-4H,(H,10,11).
What are the key properties of (2-fluorophenyl) N-chlorosulfonylcarbamate?
(2-fluorophenyl) N-chlorosulfonylcarbamate has a molecular weight of 253.64 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 88948321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).