2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide

C15H18F3NO4S — CID 154797870

IUPAC2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide
SMILESCC1(C)Cc2cc(S(=O)(=O)NC3(C(F)(F)F)CCOC3)ccc2O1
InChIInChI=1S/C15H18F3NO4S/c1-13(2)8-10-7-11(3-4-12(10)23-13)24(20,21)19-14(15(16,17)18)5-6-22-9-14/h3-4,7,19H,5-6,8-9H2,1-2H3
InChIKeyZPWNTCVNGQRTKS-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.40
Rot. Bonds3

About 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide

2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide (PubChem CID 154797870) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide
PubChem CID154797870
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC Name2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide
SMILESCC1(C)Cc2cc(S(=O)(=O)NC3(C(F)(F)F)CCOC3)ccc2O1
InChIInChI=1S/C15H18F3NO4S/c1-13(2)8-10-7-11(3-4-12(10)23-13)24(20,21)19-14(15(16,17)18)5-6-22-9-14/h3-4,7,19H,5-6,8-9H2,1-2H3
InChIKeyZPWNTCVNGQRTKS-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide (CID 154797870) is 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide is CC1(C)Cc2cc(S(=O)(=O)NC3(C(F)(F)F)CCOC3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide?
The InChIKey is ZPWNTCVNGQRTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c1-13(2)8-10-7-11(3-4-12(10)23-13)24(20,21)19-14(15(16,17)18)5-6-22-9-14/h3-4,7,19H,5-6,8-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide?
2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide has a molecular weight of 365.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 154797870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).