N-(3,3-difluorocyclobutyl)sulfamoyl chloride

C4H6ClF2NO2S — CID 119095874

IUPACN-(3,3-difluorocyclobutyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NC1CC(F)(F)C1
InChIInChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-3-1-4(6,7)2-3/h3,8H,1-2H2
InChIKeyZRJOEJMBMSTKLB-UHFFFAOYSA-N
MW205.61 g/mol
LogP0.86
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)sulfamoyl chloride

N-(3,3-difluorocyclobutyl)sulfamoyl chloride (PubChem CID 119095874) has the molecular formula C4H6ClF2NO2S and a molecular weight of 205.61 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)sulfamoyl chloride
PubChem CID119095874
Molecular FormulaC4H6ClF2NO2S
Molecular Weight205.61 g/mol
Exact Mass204.98
IUPAC NameN-(3,3-difluorocyclobutyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NC1CC(F)(F)C1
InChIInChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-3-1-4(6,7)2-3/h3,8H,1-2H2
InChIKeyZRJOEJMBMSTKLB-UHFFFAOYSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-1,1,1-trifluoromethanesulfonamide
CID 23208885
(2,2-Difluorocyclobutyl)sulfamic acid
CID 148939328
(3,3-Difluorocyclobutyl)sulfamic acid
CID 149280995
lithium N-(3,3-difluorocyclobutyl)sulfamate
CID 156663409
lithium N-(2,2-difluorocyclobutyl)sulfamate
CID 156663453
methyl N-(3,3-difluorocyclobutyl)sulfamate
CID 169607057
N-(4,4,4-trifluorobutan-2-yl)sulfamoyl chloride
CID 105933113
1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine
CID 114810347
N-(4,4,4-trifluorobutyl)sulfamoyl chloride
CID 114958440
N-(3,3-difluorobutan-2-yl)sulfamoyl chloride
CID 130965136
N-(3,3-Difluorocyclobutyl)sulfamide
CID 131175192

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)sulfamoyl chloride?
The IUPAC name of N-(3,3-difluorocyclobutyl)sulfamoyl chloride (CID 119095874) is N-(3,3-difluorocyclobutyl)sulfamoyl chloride.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)sulfamoyl chloride?
The canonical SMILES for N-(3,3-difluorocyclobutyl)sulfamoyl chloride is O=S(=O)(Cl)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)sulfamoyl chloride?
The InChIKey is ZRJOEJMBMSTKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-3-1-4(6,7)2-3/h3,8H,1-2H2.
What are the key properties of N-(3,3-difluorocyclobutyl)sulfamoyl chloride?
N-(3,3-difluorocyclobutyl)sulfamoyl chloride has a molecular weight of 205.61 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)sulfamoyl chloride is sourced from PubChem (CID 119095874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).