6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide

C19H19FN2O5S — CID 155234463

IUPAC6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3OCCF)oc2c1
InChIInChI=1S/C19H19FN2O5S/c1-22(2)14-8-7-13-11-17(27-16(13)12-14)19(23)21-28(24,25)18-6-4-3-5-15(18)26-10-9-20/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyFPZFQKIBPOZLHQ-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.97
Rot. Bonds7

About 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155234463) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155234463
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3OCCF)oc2c1
InChIInChI=1S/C19H19FN2O5S/c1-22(2)14-8-7-13-11-17(27-16(13)12-14)19(23)21-28(24,25)18-6-4-3-5-15(18)26-10-9-20/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyFPZFQKIBPOZLHQ-UHFFFAOYSA-N
XLogP2.97
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
(1-iodo-2-methylpropan-2-yl) N-[2-[2-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]phenoxy]ethyl]carbamate
CID 155244963
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234416
N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234543
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155234881
6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233897
N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234494
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155714245
6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234510
N-[2-cyclobutyloxy-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234318

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide (CID 155234463) is 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3OCCF)oc2c1.
What is the InChIKey of 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is FPZFQKIBPOZLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-22(2)14-8-7-13-11-17(27-16(13)12-14)19(23)21-28(24,25)18-6-4-3-5-15(18)26-10-9-20/h3-8,11-12H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).