N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide

C9H16ClF2NO2S — CID 107492860

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide
SMILESO=S(=O)(C1CCCC1)N(CCCl)CC(F)F
InChIInChI=1S/C9H16ClF2NO2S/c10-5-6-13(7-9(11)12)16(14,15)8-3-1-2-4-8/h8-9H,1-7H2
InChIKeyGQRPTGMROWAVMY-UHFFFAOYSA-N
MW275.75 g/mol
LogP2.06
Rot. Bonds6

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide (PubChem CID 107492860) has the molecular formula C9H16ClF2NO2S and a molecular weight of 275.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide
PubChem CID107492860
Molecular FormulaC9H16ClF2NO2S
Molecular Weight275.75 g/mol
Exact Mass275.06
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide
SMILESO=S(=O)(C1CCCC1)N(CCCl)CC(F)F
InChIInChI=1S/C9H16ClF2NO2S/c10-5-6-13(7-9(11)12)16(14,15)8-3-1-2-4-8/h8-9H,1-7H2
InChIKeyGQRPTGMROWAVMY-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 52.06
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-(2,2-difluoroethyl)cyclopentanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide (CID 107492860) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide is O=S(=O)(C1CCCC1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide?
The InChIKey is GQRPTGMROWAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF2NO2S/c10-5-6-13(7-9(11)12)16(14,15)8-3-1-2-4-8/h8-9H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide has a molecular weight of 275.75 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclopentanesulfonamide is sourced from PubChem (CID 107492860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).