3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide

C15H12F3NO3S — CID 172603190

IUPAC3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2Cc3cc(C(F)(F)F)ccc3O2)c1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)11-4-5-13-10(6-11)8-14(22-13)9-2-1-3-12(7-9)23(19,20)21/h1-7,14H,8H2,(H2,19,20,21)
InChIKeyQQRSSVOZQQTSAM-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.03
Rot. Bonds2

About 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide

3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide (PubChem CID 172603190) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide
PubChem CID172603190
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2Cc3cc(C(F)(F)F)ccc3O2)c1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)11-4-5-13-10(6-11)8-14(22-13)9-2-1-3-12(7-9)23(19,20)21/h1-7,14H,8H2,(H2,19,20,21)
InChIKeyQQRSSVOZQQTSAM-UHFFFAOYSA-N
XLogP3.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide (CID 172603190) is 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(C2Cc3cc(C(F)(F)F)ccc3O2)c1.
What is the InChIKey of 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide?
The InChIKey is QQRSSVOZQQTSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c16-15(17,18)11-4-5-13-10(6-11)8-14(22-13)9-2-1-3-12(7-9)23(19,20)21/h1-7,14H,8H2,(H2,19,20,21).
What are the key properties of 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide?
3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide has a molecular weight of 343.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 172603190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).