tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate

C11H13ClFNO4S — CID 130882959

IUPACtert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClFNO4S/c1-11(2,3)18-10(15)14-8-6-4-5-7(13)9(8)19(12,16)17/h4-6H,1-3H3,(H,14,15)
InChIKeyUTOMURLTARYEIL-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate

tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate (PubChem CID 130882959) has the molecular formula C11H13ClFNO4S and a molecular weight of 309.75 g/mol. Its IUPAC name is tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate
PubChem CID130882959
Molecular FormulaC11H13ClFNO4S
Molecular Weight309.75 g/mol
Exact Mass309.02
IUPAC Nametert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClFNO4S/c1-11(2,3)18-10(15)14-8-6-4-5-7(13)9(8)19(12,16)17/h4-6H,1-3H3,(H,14,15)
InChIKeyUTOMURLTARYEIL-UHFFFAOYSA-N
XLogP3.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(chloromethyl)-3-fluorophenyl]carbamate
CID 117236552
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
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tert-butyl N-(2-ethynyl-3-fluorophenyl)carbamate
CID 162422240
tert-butyl N-(2-tert-butylsulfonyl-3-methylphenyl)carbamate
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tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
CID 68582591
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[3-(dimethylsulfamoyl)-2-fluoro-4-methylphenyl]carbamate
CID 162727302
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamate
CID 134489707
tert-butyl N-(2-fluoro-5-methylsulfonylphenyl)carbamate
CID 65143064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate (CID 130882959) is tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(F)c1S(=O)(=O)Cl.
What is the InChIKey of tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate?
The InChIKey is UTOMURLTARYEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S/c1-11(2,3)18-10(15)14-8-6-4-5-7(13)9(8)19(12,16)17/h4-6H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate?
tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate has a molecular weight of 309.75 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate is sourced from PubChem (CID 130882959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).