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

C8H15ClF3NO3S — CID 79586108

IUPAC3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15ClF3NO3S/c1-7(4-9)5-17(15,16)13(2-3-14)6-8(10,11)12/h7,14H,2-6H2,1H3
InChIKeyNSKFPHHVCLYIMV-UHFFFAOYSA-N
MW297.73 g/mol
LogP1.05
Rot. Bonds7

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

3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 79586108) has the molecular formula C8H15ClF3NO3S and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID79586108
Molecular FormulaC8H15ClF3NO3S
Molecular Weight297.73 g/mol
Exact Mass297.04
IUPAC Name3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15ClF3NO3S/c1-7(4-9)5-17(15,16)13(2-3-14)6-8(10,11)12/h7,14H,2-6H2,1H3
InChIKeyNSKFPHHVCLYIMV-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 79586108) is 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is NSKFPHHVCLYIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO3S/c1-7(4-9)5-17(15,16)13(2-3-14)6-8(10,11)12/h7,14H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 297.73 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 79586108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).