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

C7H13ClF3NO2S — CID 79585999

IUPAC3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H13ClF3NO2S/c1-6(3-8)4-15(13,14)12(2)5-7(9,10)11/h6H,3-5H2,1-2H3
InChIKeyKFOUOHHLJSYEFB-UHFFFAOYSA-N
MW267.70 g/mol
LogP1.69
Rot. Bonds5

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

3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 79585999) has the molecular formula C7H13ClF3NO2S and a molecular weight of 267.70 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID79585999
Molecular FormulaC7H13ClF3NO2S
Molecular Weight267.70 g/mol
Exact Mass267.03
IUPAC Name3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H13ClF3NO2S/c1-6(3-8)4-15(13,14)12(2)5-7(9,10)11/h6H,3-5H2,1-2H3
InChIKeyKFOUOHHLJSYEFB-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 51.69
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

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-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60960122
3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 61607302
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
2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65754130
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65754816
1-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 65754819
1-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 65754929
4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 65755211

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 79585999) is 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is KFOUOHHLJSYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3NO2S/c1-6(3-8)4-15(13,14)12(2)5-7(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 267.70 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 79585999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).