N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide

C8H14ClF2NO2S — CID 107492869

IUPACN-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CC1)N(CCCl)CC(F)F
InChIInChI=1S/C8H14ClF2NO2S/c9-3-4-12(5-8(10)11)15(13,14)6-7-1-2-7/h7-8H,1-6H2
InChIKeyHLBFJBHENSDSCN-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.53
Rot. Bonds7

About N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide

N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide (PubChem CID 107492869) has the molecular formula C8H14ClF2NO2S and a molecular weight of 261.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide
PubChem CID107492869
Molecular FormulaC8H14ClF2NO2S
Molecular Weight261.72 g/mol
Exact Mass261.04
IUPAC NameN-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CC1)N(CCCl)CC(F)F
InChIInChI=1S/C8H14ClF2NO2S/c9-3-4-12(5-8(10)11)15(13,14)6-7-1-2-7/h7-8H,1-6H2
InChIKeyHLBFJBHENSDSCN-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide
CID 64989097
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide
CID 167786583
N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 55186312
N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 107493817
3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 107492813
2-chloroethylsulfonylmethylcyclopentane
CID 63118869
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-ethylsulfonylpropan-1-amine
CID 107488098
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,4-dimethylbenzenesulfonamide
CID 107492877
N-(2-bromoethyl)-N-butyl-1-cyclopropylmethanesulfonamide
CID 80669821
2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol
CID 107483682

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide (CID 107492869) is N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide is O=S(=O)(CC1CC1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide?
The InChIKey is HLBFJBHENSDSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO2S/c9-3-4-12(5-8(10)11)15(13,14)6-7-1-2-7/h7-8H,1-6H2.
What are the key properties of N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide?
N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide has a molecular weight of 261.72 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide is sourced from PubChem (CID 107492869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).