N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide

C24H23ClFN3O5S2 — CID 3431315

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
InChIKeyGUGKIDSKXKWITI-UHFFFAOYSA-N
MW552.05 g/mol
LogP4.71
Rot. Bonds7

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 3431315) has the molecular formula C24H23ClFN3O5S2 and a molecular weight of 552.05 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID3431315
Molecular FormulaC24H23ClFN3O5S2
Molecular Weight552.05 g/mol
Exact Mass551.08
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
InChIKeyGUGKIDSKXKWITI-UHFFFAOYSA-N
XLogP4.71
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.05
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
CID 4057923
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-{2-[(allylamino)carbonyl]phenyl}-3-(anilinosulfonyl)-4-chlorobenzamide
CID 2237563
2-chloro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565134
N-[5-[(2-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3628849
N-(2-chlorophenyl)-3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluorobenzamide
CID 3689796
N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
CID 4085591
N-(2-chlorophenyl)-3-{[ethyl(phenyl)amino]sulfonyl}-4-fluorobenzamide
CID 4216298
2-chloro-N-[3-oxo-1-phenyl-3-(3-sulfamoylanilino)propyl]benzamide
CID 4282382
N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide
CID 4604044

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 3431315) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is GUGKIDSKXKWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30).
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 552.05 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3431315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).