N-(3,3-difluorobutan-2-yl)sulfamoyl chloride

C4H8ClF2NO2S — CID 130965136

IUPACN-(3,3-difluorobutan-2-yl)sulfamoyl chloride
SMILESCC(NS(=O)(=O)Cl)C(C)(F)F
InChIInChI=1S/C4H8ClF2NO2S/c1-3(4(2,6)7)8-11(5,9)10/h3,8H,1-2H3
InChIKeyHPZIYNMIJXSERT-UHFFFAOYSA-N
MW207.63 g/mol
LogP1.10
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)sulfamoyl chloride

N-(3,3-difluorobutan-2-yl)sulfamoyl chloride (PubChem CID 130965136) has the molecular formula C4H8ClF2NO2S and a molecular weight of 207.63 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)sulfamoyl chloride
PubChem CID130965136
Molecular FormulaC4H8ClF2NO2S
Molecular Weight207.63 g/mol
Exact Mass206.99
IUPAC NameN-(3,3-difluorobutan-2-yl)sulfamoyl chloride
SMILESCC(NS(=O)(=O)Cl)C(C)(F)F
InChIInChI=1S/C4H8ClF2NO2S/c1-3(4(2,6)7)8-11(5,9)10/h3,8H,1-2H3
InChIKeyHPZIYNMIJXSERT-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.63
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
potassium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23705468
sodium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23707325
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
1,1,1-Trifluoro-2-(sulfinatoamino)propane
CID 91315691
trifluoromethyl N-propylsulfamate
CID 91366587
N-(3-fluorobutan-2-yl)sulfamoyl fluoride
CID 130225175
ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 130383019
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
CID 140578437

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)sulfamoyl chloride?
The IUPAC name of N-(3,3-difluorobutan-2-yl)sulfamoyl chloride (CID 130965136) is N-(3,3-difluorobutan-2-yl)sulfamoyl chloride.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)sulfamoyl chloride?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)sulfamoyl chloride is CC(NS(=O)(=O)Cl)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)sulfamoyl chloride?
The InChIKey is HPZIYNMIJXSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClF2NO2S/c1-3(4(2,6)7)8-11(5,9)10/h3,8H,1-2H3.
What are the key properties of N-(3,3-difluorobutan-2-yl)sulfamoyl chloride?
N-(3,3-difluorobutan-2-yl)sulfamoyl chloride has a molecular weight of 207.63 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)sulfamoyl chloride is sourced from PubChem (CID 130965136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).