2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate

C11H13F3N2O4S — CID 94033199

IUPAC2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H13F3N2O4S/c1-7(16-10(17)20-6-11(12,13)14)8-2-4-9(5-3-8)21(15,18)19/h2-5,7H,6H2,1H3,(H,16,17)(H2,15,18,19)/t7-/m0/s1
InChIKeyYWECKJAVWIVBKG-ZETCQYMHSA-N
MW326.30 g/mol
LogP1.68
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate

2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate (PubChem CID 94033199) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate
PubChem CID94033199
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H13F3N2O4S/c1-7(16-10(17)20-6-11(12,13)14)8-2-4-9(5-3-8)21(15,18)19/h2-5,7H,6H2,1H3,(H,16,17)(H2,15,18,19)/t7-/m0/s1
InChIKeyYWECKJAVWIVBKG-ZETCQYMHSA-N
XLogP1.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
4-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]benzenesulfonamide
CID 63828539
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
2,2,2-trifluoroethyl N-[1-(3-bromophenyl)ethyl]carbamate
CID 65168603
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate (CID 94033199) is 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate is C[C@H](NC(=O)OCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate?
The InChIKey is YWECKJAVWIVBKG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-7(16-10(17)20-6-11(12,13)14)8-2-4-9(5-3-8)21(15,18)19/h2-5,7H,6H2,1H3,(H,16,17)(H2,15,18,19)/t7-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate has a molecular weight of 326.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate is sourced from PubChem (CID 94033199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).