2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C24H24FN3O5S2 — CID 2337095

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O5S2/c25-18-8-12-20(13-9-18)34(30,31)27-23-7-3-2-6-22(23)24(29)26-19-10-14-21(15-11-19)35(32,33)28-16-4-1-5-17-28/h2-3,6-15,27H,1,4-5,16-17H2,(H,26,29)
InChIKeyMBYLZOVYLVGCIZ-UHFFFAOYSA-N
MW517.60 g/mol
LogP4.05
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2337095) has the molecular formula C24H24FN3O5S2 and a molecular weight of 517.60 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID2337095
Molecular FormulaC24H24FN3O5S2
Molecular Weight517.60 g/mol
Exact Mass517.11
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O5S2/c25-18-8-12-20(13-9-18)34(30,31)27-23-7-3-2-6-22(23)24(29)26-19-10-14-21(15-11-19)35(32,33)28-16-4-1-5-17-28/h2-3,6-15,27H,1,4-5,16-17H2,(H,26,29)
InChIKeyMBYLZOVYLVGCIZ-UHFFFAOYSA-N
XLogP4.05
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 15945362
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336918
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
2-[(2-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 7941056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 2337095) is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is MBYLZOVYLVGCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5S2/c25-18-8-12-20(13-9-18)34(30,31)27-23-7-3-2-6-22(23)24(29)26-19-10-14-21(15-11-19)35(32,33)28-16-4-1-5-17-28/h2-3,6-15,27H,1,4-5,16-17H2,(H,26,29).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 517.60 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2337095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).