6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide

C21H18FNO5S — CID 166595859

IUPAC6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC1CC1)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C21H18FNO5S/c22-16-9-13(12-5-6-12)10-18-15(16)11-19(28-18)21(24)23-29(25,26)20-4-2-1-3-17(20)27-14-7-8-14/h1-4,9-12,14H,5-8H2,(H,23,24)
InChIKeyYDFRUBWAYWEILJ-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.11
Rot. Bonds6

About 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide

6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide (PubChem CID 166595859) has the molecular formula C21H18FNO5S and a molecular weight of 415.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
PubChem CID166595859
Molecular FormulaC21H18FNO5S
Molecular Weight415.44 g/mol
Exact Mass415.09
IUPAC Name6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC1CC1)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C21H18FNO5S/c22-16-9-13(12-5-6-12)10-18-15(16)11-19(28-18)21(24)23-29(25,26)20-4-2-1-3-17(20)27-14-7-8-14/h1-4,9-12,14H,5-8H2,(H,23,24)
InChIKeyYDFRUBWAYWEILJ-UHFFFAOYSA-N
XLogP4.11
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

WO2022081842, Example 61
CID 166595558
WO2022081842, Example 29
CID 166595605
WO2022081842, Example 59
CID 166595643
WO2022081842, Example 60
CID 166595816
WO2022081842, Example 65
CID 166595855
WO2022081842, Example 33
CID 166595900
WO2022081842, Example 64
CID 166595909
WO2022081842, Example 41
CID 166595914
WO2022081842, Example 32
CID 166595939
WO2022081842, Example 67
CID 166595977
WO2022081842, Example 35
CID 166595982
6-Cyclopropyl-N-(2-phenylphenyl)sulfonyl-4-(trifluoromethyl)benzofuran-2-carboxamide
CID 166595991

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide (CID 166595859) is 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1OC1CC1)c1cc2c(F)cc(C3CC3)cc2o1.
What is the InChIKey of 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is YDFRUBWAYWEILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5S/c22-16-9-13(12-5-6-12)10-18-15(16)11-19(28-18)21(24)23-29(25,26)20-4-2-1-3-17(20)27-14-7-8-14/h1-4,9-12,14H,5-8H2,(H,23,24).
What are the key properties of 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-cyclopropyloxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).