1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide

C4H9F3N2O4S2 — CID 58173846

IUPAC1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-14(10,11)8-2-3-9-15(12,13)4(5,6)7/h8-9H,2-3H2,1H3
InChIKeySWOVQGBIRQDSPD-UHFFFAOYSA-N
MW270.25 g/mol
LogP-1.03
Rot. Bonds5

About 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide (PubChem CID 58173846) has the molecular formula C4H9F3N2O4S2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
PubChem CID58173846
Molecular FormulaC4H9F3N2O4S2
Molecular Weight270.25 g/mol
Exact Mass270.00
IUPAC Name1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-14(10,11)8-2-3-9-15(12,13)4(5,6)7/h8-9H,2-3H2,1H3
InChIKeySWOVQGBIRQDSPD-UHFFFAOYSA-N
XLogP-1.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide (CID 58173846) is 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide is CS(=O)(=O)NCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide?
The InChIKey is SWOVQGBIRQDSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O4S2/c1-14(10,11)8-2-3-9-15(12,13)4(5,6)7/h8-9H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide has a molecular weight of 270.25 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide is sourced from PubChem (CID 58173846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).