N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide

C9H16ClF2NO2S — CID 63396346

IUPACN-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCCl)C1CCCCC1
InChIInChI=1S/C9H16ClF2NO2S/c10-6-7-13(16(14,15)9(11)12)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyWRSAHPPODCKEPS-UHFFFAOYSA-N
MW275.75 g/mol
LogP2.41
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide

N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide (PubChem CID 63396346) has the molecular formula C9H16ClF2NO2S and a molecular weight of 275.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
PubChem CID63396346
Molecular FormulaC9H16ClF2NO2S
Molecular Weight275.75 g/mol
Exact Mass275.06
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCCl)C1CCCCC1
InChIInChI=1S/C9H16ClF2NO2S/c10-6-7-13(16(14,15)9(11)12)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyWRSAHPPODCKEPS-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 52.41
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)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
2-(Chloromethyl)-1-(difluoromethylsulfonyl)piperidine
CID 63396913
N-(2-chloroethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide
CID 63400576
N-(2-chloroethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058808
2-(Chloromethyl)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83058938
N-(2-chlorocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 102638684
N-(2-chlorocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 113719347
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide (CID 63396346) is N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide is O=S(=O)(C(F)F)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The InChIKey is WRSAHPPODCKEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF2NO2S/c10-6-7-13(16(14,15)9(11)12)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide has a molecular weight of 275.75 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63396346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).