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

C6H11ClF3NO2S — CID 79580205

IUPAC3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H11ClF3NO2S/c1-5(2-7)3-14(12,13)11-4-6(8,9)10/h5,11H,2-4H2,1H3
InChIKeySRVPFUMORSHQDF-UHFFFAOYSA-N
MW253.67 g/mol
LogP1.34
Rot. Bonds5

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

3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 79580205) has the molecular formula C6H11ClF3NO2S and a molecular weight of 253.67 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID79580205
Molecular FormulaC6H11ClF3NO2S
Molecular Weight253.67 g/mol
Exact Mass253.02
IUPAC Name3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H11ClF3NO2S/c1-5(2-7)3-14(12,13)11-4-6(8,9)10/h5,11H,2-4H2,1H3
InChIKeySRVPFUMORSHQDF-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 51.34
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

3-chloro-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 43654160
3-chloro-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 63227869
N-(3-chloro-2-methylpropyl)-1,1-difluoromethanesulfonamide
CID 65036776
3-chloro-2-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 79585264
3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79585999
N-(1-chlorobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058398
N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058512
N-(3-chloro-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058539
N-(2-chloroethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058641
N-(2-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058665
N-(1-chloropropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059118
N-(3-chloro-2,2-dimethylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059124

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 79580205) is 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is SRVPFUMORSHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF3NO2S/c1-5(2-7)3-14(12,13)11-4-6(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 253.67 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 79580205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).