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

C8H14ClF2NO2S — CID 63396639

IUPACN-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCCl)C1CCCC1
InChIInChI=1S/C8H14ClF2NO2S/c9-5-6-12(7-3-1-2-4-7)15(13,14)8(10)11/h7-8H,1-6H2
InChIKeyNUJCIXBQGINQSS-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.02
Rot. Bonds5

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

N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide (PubChem CID 63396639) has the molecular formula C8H14ClF2NO2S and a molecular weight of 261.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
PubChem CID63396639
Molecular FormulaC8H14ClF2NO2S
Molecular Weight261.72 g/mol
Exact Mass261.04
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCCl)C1CCCC1
InChIInChI=1S/C8H14ClF2NO2S/c9-5-6-12(7-3-1-2-4-7)15(13,14)8(10)11/h7-8H,1-6H2
InChIKeyNUJCIXBQGINQSS-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide (CID 63396639) is N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide is O=S(=O)(C(F)F)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The InChIKey is NUJCIXBQGINQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO2S/c9-5-6-12(7-3-1-2-4-7)15(13,14)8(10)11/h7-8H,1-6H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide has a molecular weight of 261.72 g/mol, XLogP of 2.02, 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-cyclopentyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63396639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).