6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide

C18H15BrFNO5S — CID 155234510

IUPAC6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(Br)cc2o1
InChIInChI=1S/C18H15BrFNO5S/c1-2-7-25-14-5-3-4-6-17(14)27(23,24)21-18(22)16-10-12-13(20)8-11(19)9-15(12)26-16/h3-6,8-10H,2,7H2,1H3,(H,21,22)
InChIKeyWFZZHLQKMVDCLE-UHFFFAOYSA-N
MW456.29 g/mol
LogP4.24
Rot. Bonds6

About 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155234510) has the molecular formula C18H15BrFNO5S and a molecular weight of 456.29 g/mol. Its IUPAC name is 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155234510
Molecular FormulaC18H15BrFNO5S
Molecular Weight456.29 g/mol
Exact Mass454.98
IUPAC Name6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(Br)cc2o1
InChIInChI=1S/C18H15BrFNO5S/c1-2-7-25-14-5-3-4-6-17(14)27(23,24)21-18(22)16-10-12-13(20)8-11(19)9-15(12)26-16/h3-6,8-10H,2,7H2,1H3,(H,21,22)
InChIKeyWFZZHLQKMVDCLE-UHFFFAOYSA-N
XLogP4.24
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234416
6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166596093
6-(azetidin-1-yl)-N-(2,6-dipropoxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166595846
(2R)-1-[2-[(2-ethoxyphenyl)sulfonylcarbamoyl]-4-fluoro-1-benzofuran-6-yl]azetidine-2-carboxamide
CID 166596572
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155234881
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234394
6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166595651
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
N-(2-ethoxy-5-ethylphenyl)sulfonyl-4-fluoro-6-(3-fluoroazetidin-1-yl)-1-benzofuran-2-carboxamide
CID 166596385
6-cyclopropyl-N-[2-ethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166596471

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155234510) is 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(Br)cc2o1.
What is the InChIKey of 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is WFZZHLQKMVDCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO5S/c1-2-7-25-14-5-3-4-6-17(14)27(23,24)21-18(22)16-10-12-13(20)8-11(19)9-15(12)26-16/h3-6,8-10H,2,7H2,1H3,(H,21,22).
What are the key properties of 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 456.29 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).