2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide

C20H21F2N3O4S — CID 56570635

IUPAC2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C20H21F2N3O4S/c1-12-5-6-13(30(28,29)25-7-3-2-4-8-25)9-14(12)20(27)24-18-10-15(19(23)26)16(21)11-17(18)22/h5-6,9-11H,2-4,7-8H2,1H3,(H2,23,26)(H,24,27)
InChIKeyJTDWIRYGUZQEIJ-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.80
Rot. Bonds5

About 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide

2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 56570635) has the molecular formula C20H21F2N3O4S and a molecular weight of 437.47 g/mol. Its IUPAC name is 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
PubChem CID56570635
Molecular FormulaC20H21F2N3O4S
Molecular Weight437.47 g/mol
Exact Mass437.12
IUPAC Name2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C20H21F2N3O4S/c1-12-5-6-13(30(28,29)25-7-3-2-4-8-25)9-14(12)20(27)24-18-10-15(19(23)26)16(21)11-17(18)22/h5-6,9-11H,2-4,7-8H2,1H3,(H2,23,26)(H,24,27)
InChIKeyJTDWIRYGUZQEIJ-UHFFFAOYSA-N
XLogP2.80
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
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
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide (CID 56570635) is 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is JTDWIRYGUZQEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4S/c1-12-5-6-13(30(28,29)25-7-3-2-4-8-25)9-14(12)20(27)24-18-10-15(19(23)26)16(21)11-17(18)22/h5-6,9-11H,2-4,7-8H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide?
2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 437.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 56570635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).