N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide

C13H14F3NO4S — CID 166235594

IUPACN-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide
SMILESCOCC(C)(NS(=O)(=O)c1cccc2ccoc12)C(F)(F)F
InChIInChI=1S/C13H14F3NO4S/c1-12(8-20-2,13(14,15)16)17-22(18,19)10-5-3-4-9-6-7-21-11(9)10/h3-7,17H,8H2,1-2H3
InChIKeyYZGDQUFAQGDFLC-UHFFFAOYSA-N
MW337.32 g/mol
LogP2.68
Rot. Bonds5

About N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide

N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide (PubChem CID 166235594) has the molecular formula C13H14F3NO4S and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide
PubChem CID166235594
Molecular FormulaC13H14F3NO4S
Molecular Weight337.32 g/mol
Exact Mass337.06
IUPAC NameN-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide
SMILESCOCC(C)(NS(=O)(=O)c1cccc2ccoc12)C(F)(F)F
InChIInChI=1S/C13H14F3NO4S/c1-12(8-20-2,13(14,15)16)17-22(18,19)10-5-3-4-9-6-7-21-11(9)10/h3-7,17H,8H2,1-2H3
InChIKeyYZGDQUFAQGDFLC-UHFFFAOYSA-N
XLogP2.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-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

N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 3236646
1-Benzofuran-7-sulfonyl chloride
CID 49762852
3-Benzofuransulfonamide
CID 67273585
5-(1-Benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
CID 128574553
1-(1-Benzofuran-7-ylsulfonyl)-3-ethylazetidine
CID 128775195
N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
CID 164635694
Ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate
CID 15158745
5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide
CID 122685662
N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide
CID 129056895
1-[(5-Fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 134561922
3-(Trifluoromethylsulfonyl)-1-benzofuran
CID 141470848

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide?
The IUPAC name of N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide (CID 166235594) is N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide is COCC(C)(NS(=O)(=O)c1cccc2ccoc12)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide?
The InChIKey is YZGDQUFAQGDFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO4S/c1-12(8-20-2,13(14,15)16)17-22(18,19)10-5-3-4-9-6-7-21-11(9)10/h3-7,17H,8H2,1-2H3.
What are the key properties of N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide?
N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide has a molecular weight of 337.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 166235594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).