N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

C22H20ClFN4O3S — CID 5072686

IUPACN-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H20ClFN4O3S/c23-17-4-3-5-18(15-17)26-22(29)16-7-8-19(24)20(14-16)32(30,31)28-12-10-27(11-13-28)21-6-1-2-9-25-21/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyBHAYOWLOJMKFCM-UHFFFAOYSA-N
MW474.95 g/mol
LogP3.64
Rot. Bonds5

About N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide

N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 5072686) has the molecular formula C22H20ClFN4O3S and a molecular weight of 474.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
PubChem CID5072686
Molecular FormulaC22H20ClFN4O3S
Molecular Weight474.95 g/mol
Exact Mass474.09
IUPAC NameN-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H20ClFN4O3S/c23-17-4-3-5-18(15-17)26-22(29)16-7-8-19(24)20(14-16)32(30,31)28-12-10-27(11-13-28)21-6-1-2-9-25-21/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyBHAYOWLOJMKFCM-UHFFFAOYSA-N
XLogP3.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
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4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
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CID 4089871
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-(3,5-dichlorophenyl)-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4075000
4-fluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 4055666
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
4-fluoro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46424018

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (CID 5072686) is N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is BHAYOWLOJMKFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3S/c23-17-4-3-5-18(15-17)26-22(29)16-7-8-19(24)20(14-16)32(30,31)28-12-10-27(11-13-28)21-6-1-2-9-25-21/h1-9,14-15H,10-13H2,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 474.95 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 5072686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).