2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

C20H23FN2O4S — CID 27844858

IUPAC2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(F)c1
InChIInChI=1S/C20H23FN2O4S/c1-14-6-8-16(28(25,26)23-10-4-3-5-11-23)13-19(14)22-20(24)17-9-7-15(27-2)12-18(17)21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyJXQXIKBYGLPCRX-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.57
Rot. Bonds5

About 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 27844858) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID27844858
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(F)c1
InChIInChI=1S/C20H23FN2O4S/c1-14-6-8-16(28(25,26)23-10-4-3-5-11-23)13-19(14)22-20(24)17-9-7-15(27-2)12-18(17)21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyJXQXIKBYGLPCRX-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 39753370
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 56570635
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 27844858) is 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is JXQXIKBYGLPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-14-6-8-16(28(25,26)23-10-4-3-5-11-23)13-19(14)22-20(24)17-9-7-15(27-2)12-18(17)21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 27844858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).