5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C21H21FN2O4S — CID 9344621

IUPAC5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C21H21FN2O4S/c1-14-18-13-15(22)5-10-19(18)28-20(14)21(25)23-16-6-8-17(9-7-16)29(26,27)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyDKESJARFJJFUMG-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.31
Rot. Bonds4

About 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 9344621) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID9344621
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C21H21FN2O4S/c1-14-18-13-15(22)5-10-19(18)28-20(14)21(25)23-16-6-8-17(9-7-16)29(26,27)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyDKESJARFJJFUMG-UHFFFAOYSA-N
XLogP4.31
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4526754
3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 31009311
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2139142
N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4059945
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 9344621) is 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DKESJARFJJFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-14-18-13-15(22)5-10-19(18)28-20(14)21(25)23-16-6-8-17(9-7-16)29(26,27)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,23,25).
What are the key properties of 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).