3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C8H15ClF3NO2S — CID 60960122

IUPAC3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C8H15ClF3NO2S/c1-2-5-13(7-8(10,11)12)16(14,15)6-3-4-9/h2-7H2,1H3
InChIKeyQZBMGVLUMIXLEN-UHFFFAOYSA-N
MW281.73 g/mol
LogP2.22
Rot. Bonds7

About 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 60960122) has the molecular formula C8H15ClF3NO2S and a molecular weight of 281.73 g/mol. Its IUPAC name is 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID60960122
Molecular FormulaC8H15ClF3NO2S
Molecular Weight281.73 g/mol
Exact Mass281.05
IUPAC Name3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C8H15ClF3NO2S/c1-2-5-13(7-8(10,11)12)16(14,15)6-3-4-9/h2-7H2,1H3
InChIKeyQZBMGVLUMIXLEN-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
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
3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 61607302
3-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 61607337
N-(3-chloropropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 63396417
N-(2-chloroethyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 63397529
3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 65532805
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65753743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 60960122) is 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is QZBMGVLUMIXLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO2S/c1-2-5-13(7-8(10,11)12)16(14,15)6-3-4-9/h2-7H2,1H3.
What are the key properties of 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide 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 3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 60960122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).