N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H15ClF3NO2S — CID 83058538

IUPACN-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC(Cl)C1CC1
InChIInChI=1S/C9H15ClF3NO2S/c10-8(7-2-3-7)6-14-17(15,16)5-1-4-9(11,12)13/h7-8,14H,1-6H2
InChIKeyXFEBNHIGBJTQIK-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.27
Rot. Bonds7

About N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058538) has the molecular formula C9H15ClF3NO2S and a molecular weight of 293.74 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058538
Molecular FormulaC9H15ClF3NO2S
Molecular Weight293.74 g/mol
Exact Mass293.05
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC(Cl)C1CC1
InChIInChI=1S/C9H15ClF3NO2S/c10-8(7-2-3-7)6-14-17(15,16)5-1-4-9(11,12)13/h7-8,14H,1-6H2
InChIKeyXFEBNHIGBJTQIK-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2-cyclopropylethyl)-1,1-difluoromethanesulfonamide
CID 65032173
N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059119
N-(4-chloro-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059293
N-[[1-(chloromethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059298
N-(4-chloro-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059431
N-(1-chloro-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059587
N-[2-(2-chloroethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106118291
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
N-(5-chloro-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106158974
N-(4-chlorobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106846513
N-(2-chloro-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107158295
N-(5-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107322724

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83058538) is N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC(Cl)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XFEBNHIGBJTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2S/c10-8(7-2-3-7)6-14-17(15,16)5-1-4-9(11,12)13/h7-8,14H,1-6H2.
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 293.74 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).