2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate

C10H11F3N2O4S — CID 83205222

IUPAC2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
SMILESNC(=O)OCCNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)20(17,18)8-4-2-1-3-7(8)15-5-6-19-9(14)16/h1-4,15H,5-6H2,(H2,14,16)
InChIKeyMTRYPUUDZXJZIZ-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.49
Rot. Bonds5

About 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate

2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate (PubChem CID 83205222) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
PubChem CID83205222
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
SMILESNC(=O)OCCNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)20(17,18)8-4-2-1-3-7(8)15-5-6-19-9(14)16/h1-4,15H,5-6H2,(H2,14,16)
InChIKeyMTRYPUUDZXJZIZ-UHFFFAOYSA-N
XLogP1.49
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 43553664
2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
CID 83204510
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 107257686
methyl 6-[2-(trifluoromethylsulfonyl)anilino]hexanoate
CID 60597269
N-(3-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 65028628
2-methyl-N'-[2-(trifluoromethylsulfonyl)phenyl]pentane-1,5-diamine
CID 106155437
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427667
N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
CID 133287951
N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate?
The IUPAC name of 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate (CID 83205222) is 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate.
What is the SMILES notation for 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate?
The canonical SMILES for 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate is NC(=O)OCCNc1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate?
The InChIKey is MTRYPUUDZXJZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c11-10(12,13)20(17,18)8-4-2-1-3-7(8)15-5-6-19-9(14)16/h1-4,15H,5-6H2,(H2,14,16).
What are the key properties of 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate?
2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate has a molecular weight of 312.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate is sourced from PubChem (CID 83205222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).