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

C21H21FN2O4S — CID 31009311

IUPAC7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)oc2c(F)cccc12
InChIInChI=1S/C21H21FN2O4S/c1-14-17-9-6-10-18(22)20(17)28-19(14)21(25)23-15-7-5-8-16(13-15)29(26,27)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyGRQRFQYNSCKMJF-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.31
Rot. Bonds4

About 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 31009311) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID31009311
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)oc2c(F)cccc12
InChIInChI=1S/C21H21FN2O4S/c1-14-17-9-6-10-18(22)20(17)28-19(14)21(25)23-15-7-5-8-16(13-15)29(26,27)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyGRQRFQYNSCKMJF-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-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 37052931
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
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
5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 9344621
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
3,5,7-trimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 118984818
2,6-difluoro-N-[3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 4963368

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 31009311) is 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is GRQRFQYNSCKMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-14-17-9-6-10-18(22)20(17)28-19(14)21(25)23-15-7-5-8-16(13-15)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 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-(3-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 7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31009311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).