N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H14F3NO3S2 — CID 90554881

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H14F3NO3S2/c12-11(13,14)8-15(9-3-5-18-6-4-9)20(16,17)10-2-1-7-19-10/h1-2,7,9H,3-6,8H2
InChIKeySYRZFHODBIQXOB-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.48
Rot. Bonds4

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 90554881) has the molecular formula C11H14F3NO3S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID90554881
Molecular FormulaC11H14F3NO3S2
Molecular Weight329.37 g/mol
Exact Mass329.04
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H14F3NO3S2/c12-11(13,14)8-15(9-3-5-18-6-4-9)20(16,17)10-2-1-7-19-10/h1-2,7,9H,3-6,8H2
InChIKeySYRZFHODBIQXOB-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide 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

2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 91905220
3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 43577528
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
CID 90554912
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 91939249
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 90610868
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55006606
2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384907
N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 90554814

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 90554881) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is SYRZFHODBIQXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S2/c12-11(13,14)8-15(9-3-5-18-6-4-9)20(16,17)10-2-1-7-19-10/h1-2,7,9H,3-6,8H2.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 329.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 90554881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).