[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate

C8H5ClF3NO5S — CID 116799211

IUPAC[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5ClF3NO5S/c9-19(15,16)13-7(14)17-5-1-3-6(4-2-5)18-8(10,11)12/h1-4H,(H,13,14)
InChIKeyXKGZGAVIVHWFLE-UHFFFAOYSA-N
MW319.64 g/mol
LogP2.16
Rot. Bonds3

About [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate

[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate (PubChem CID 116799211) has the molecular formula C8H5ClF3NO5S and a molecular weight of 319.64 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
PubChem CID116799211
Molecular FormulaC8H5ClF3NO5S
Molecular Weight319.64 g/mol
Exact Mass318.95
IUPAC Name[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5ClF3NO5S/c9-19(15,16)13-7(14)17-5-1-3-6(4-2-5)18-8(10,11)12/h1-4H,(H,13,14)
InChIKeyXKGZGAVIVHWFLE-UHFFFAOYSA-N
XLogP2.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate
CID 175482443
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl] N-methylcarbamate
CID 154400545
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
CID 116799026
(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
CID 142618625
CID 59303798
CID 59303798

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate?
The IUPAC name of [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate (CID 116799211) is [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate is O=C(NS(=O)(=O)Cl)Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate?
The InChIKey is XKGZGAVIVHWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO5S/c9-19(15,16)13-7(14)17-5-1-3-6(4-2-5)18-8(10,11)12/h1-4H,(H,13,14).
What are the key properties of [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate?
[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate has a molecular weight of 319.64 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate is sourced from PubChem (CID 116799211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).