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

C9H15ClF3NO2S — CID 107493056

IUPACN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide
SMILESO=S(=O)(C1CCCC1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2S/c10-5-6-14(7-9(11,12)13)17(15,16)8-3-1-2-4-8/h8H,1-7H2
InChIKeyGSZXRUCHSPZGTR-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.36
Rot. Bonds5

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

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide (PubChem CID 107493056) has the molecular formula C9H15ClF3NO2S and a molecular weight of 293.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide
PubChem CID107493056
Molecular FormulaC9H15ClF3NO2S
Molecular Weight293.74 g/mol
Exact Mass293.05
IUPAC NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide
SMILESO=S(=O)(C1CCCC1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2S/c10-5-6-14(7-9(11,12)13)17(15,16)8-3-1-2-4-8/h8H,1-7H2
InChIKeyGSZXRUCHSPZGTR-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.36
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)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide
CID 83057943
N-butyl-N-(2-chloroethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058535
N-(2-chloroethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058664
N-(2-chloroethyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83058809
N,N-bis(2-chloroethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058915
N-(2-chloroethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83059116
N-(2-chloroethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 83059427
N-(2-chloroethyl)-4,4,4-trifluoro-N-propan-2-ylbutane-1-sulfonamide
CID 83059584
N-(2-chloropropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83059585
3-Chloro-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 83060006
N-(2-chloroethyl)-N-(2,2-difluoroethyl)butane-1-sulfonamide
CID 107492797
N-(2-chloroethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide
CID 107492838

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide (CID 107493056) is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide is O=S(=O)(C1CCCC1)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide?
The InChIKey is GSZXRUCHSPZGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2S/c10-5-6-14(7-9(11,12)13)17(15,16)8-3-1-2-4-8/h8H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide?
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclopentanesulfonamide has a molecular weight of 293.74 g/mol, XLogP of 2.36, 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-(2,2,2-trifluoroethyl)cyclopentanesulfonamide is sourced from PubChem (CID 107493056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).