N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C8H15ClF3NO2S — CID 107651077

IUPACN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)CCCl
InChIInChI=1S/C8H15ClF3NO2S/c1-2-3-5-13(7-8(10,11)12)16(14,15)6-4-9/h2-7H2,1H3
InChIKeyWZWAIALCQAWEMW-UHFFFAOYSA-N
MW281.73 g/mol
LogP2.22
Rot. Bonds7

About N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107651077) has the molecular formula C8H15ClF3NO2S and a molecular weight of 281.73 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107651077
Molecular FormulaC8H15ClF3NO2S
Molecular Weight281.73 g/mol
Exact Mass281.05
IUPAC NameN-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)CCCl
InChIInChI=1S/C8H15ClF3NO2S/c1-2-3-5-13(7-8(10,11)12)16(14,15)6-4-9/h2-7H2,1H3
InChIKeyWZWAIALCQAWEMW-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 52.22
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

5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methyl-pentanesulfonamide
CID 19711032
N,N-dibutyl-2,2,2-trifluoroethanesulfonamide
CID 89281446
N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 89281508
N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
CID 89281546
N,N-dibutyl-3,3,3-trifluoropropane-1-sulfonamide
CID 89281547
N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 89281551
N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide
CID 89281588
3-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54877244
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54877348
3-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54877383
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473
3-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60959194

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107651077) is N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)CCCl.
What is the InChIKey of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is WZWAIALCQAWEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO2S/c1-2-3-5-13(7-8(10,11)12)16(14,15)6-4-9/h2-7H2,1H3.
What are the key properties of N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 281.73 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107651077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).