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

C10H17ClF3NO2S — CID 107493033

IUPACN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H17ClF3NO2S/c11-6-7-15(8-10(12,13)14)18(16,17)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyRXYGVPICKVACLR-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.75
Rot. Bonds5

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

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide (PubChem CID 107493033) has the molecular formula C10H17ClF3NO2S and a molecular weight of 307.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
PubChem CID107493033
Molecular FormulaC10H17ClF3NO2S
Molecular Weight307.77 g/mol
Exact Mass307.06
IUPAC NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H17ClF3NO2S/c11-6-7-15(8-10(12,13)14)18(16,17)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyRXYGVPICKVACLR-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.75
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-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide (CID 107493033) is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide is O=S(=O)(C1CCCCC1)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
The InChIKey is RXYGVPICKVACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2S/c11-6-7-15(8-10(12,13)14)18(16,17)9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide?
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide has a molecular weight of 307.77 g/mol, XLogP of 2.75, 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)cyclohexanesulfonamide is sourced from PubChem (CID 107493033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).