N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide

C10H17ClF3NO2S — CID 102873614

IUPACN-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCCl)C1CCC1
InChIInChI=1S/C10H17ClF3NO2S/c11-6-7-15(9-3-1-4-9)18(16,17)8-2-5-10(12,13)14/h9H,1-8H2
InChIKeyWANZANVFEISNJC-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.75
Rot. Bonds7

About N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide

N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 102873614) has the molecular formula C10H17ClF3NO2S and a molecular weight of 307.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID102873614
Molecular FormulaC10H17ClF3NO2S
Molecular Weight307.77 g/mol
Exact Mass307.06
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCCl)C1CCC1
InChIInChI=1S/C10H17ClF3NO2S/c11-6-7-15(9-3-1-4-9)18(16,17)8-2-5-10(12,13)14/h9H,1-8H2
InChIKeyWANZANVFEISNJC-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide (CID 102873614) is N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is WANZANVFEISNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2S/c11-6-7-15(9-3-1-4-9)18(16,17)8-2-5-10(12,13)14/h9H,1-8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 307.77 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 102873614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).