N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

C22H19ClF2N4O3S — CID 4125898

IUPACN-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F
InChIInChI=1S/C22H19ClF2N4O3S/c23-15-4-7-20(19(25)13-15)27-22(30)17-14-16(5-6-18(17)24)33(31,32)29-11-9-28(10-12-29)21-3-1-2-8-26-21/h1-8,13-14H,9-12H2,(H,27,30)
InChIKeyPNZFMZPKFSZYEJ-UHFFFAOYSA-N
MW492.94 g/mol
LogP3.78
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 4125898) has the molecular formula C22H19ClF2N4O3S and a molecular weight of 492.94 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
PubChem CID4125898
Molecular FormulaC22H19ClF2N4O3S
Molecular Weight492.94 g/mol
Exact Mass492.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F
InChIInChI=1S/C22H19ClF2N4O3S/c23-15-4-7-20(19(25)13-15)27-22(30)17-14-16(5-6-18(17)24)33(31,32)29-11-9-28(10-12-29)21-3-1-2-8-26-21/h1-8,13-14H,9-12H2,(H,27,30)
InChIKeyPNZFMZPKFSZYEJ-UHFFFAOYSA-N
XLogP3.78
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(((5-Chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide
CID 24794406
4-[[4-[[3-(~{tert}-Butylsulfonylamino)-4-Chloranyl-Phenyl]amino]-5-Methyl-Pyrimidin-2-Yl]amino]-2-Fluoranyl-~{n}-(1-Methylpiperidin-4-Yl)benzamide
CID 118889467
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
N-(5-chloropyridin-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 1039727
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 24981186
N-[2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788942
N-(2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-2''-sulfamoylbiphenyl-4-carboxamide
CID 10207569
N-(5-Chloro-pyridin-2-yl)-3-[(2''-sulfamoyl-biphenyl-4-carbonyl)-amino]-isonicotinamide
CID 18728140
N-(5-Chloro-pyridin-2-yl)-4-[(2''-sulfamoyl-biphenyl-4-carbonyl)-amino]-nicotinamide
CID 18728158
N-(5-Chloro-pyridin-2-yl)-2-[(2''-sulfamoyl-biphenyl-4-carbonyl)-amino]-nicotinamide
CID 22596321
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide
CID 25270897

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (CID 4125898) is N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is PNZFMZPKFSZYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O3S/c23-15-4-7-20(19(25)13-15)27-22(30)17-14-16(5-6-18(17)24)33(31,32)29-11-9-28(10-12-29)21-3-1-2-8-26-21/h1-8,13-14H,9-12H2,(H,27,30).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 492.94 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4125898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).