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

C24H25FN4O4S — CID 3239411

IUPACN-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)cc1
InChIInChI=1S/C24H25FN4O4S/c1-2-33-20-9-7-19(8-10-20)27-24(30)18-6-11-21(25)22(17-18)34(31,32)29-15-13-28(14-16-29)23-5-3-4-12-26-23/h3-12,17H,2,13-16H2,1H3,(H,27,30)
InChIKeyCZGJRTDMBLVGDE-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.38
Rot. Bonds7

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

N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 3239411) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
PubChem CID3239411
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC NameN-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)cc1
InChIInChI=1S/C24H25FN4O4S/c1-2-33-20-9-7-19(8-10-20)27-24(30)18-6-11-21(25)22(17-18)34(31,32)29-15-13-28(14-16-29)23-5-3-4-12-26-23/h3-12,17H,2,13-16H2,1H3,(H,27,30)
InChIKeyCZGJRTDMBLVGDE-UHFFFAOYSA-N
XLogP3.38
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(1-(4-oxo-3-(4-(2,2,2-trifluoroethoxy)phenyl)-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)acetamide
CID 45101529
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide
CID 46883311
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
N-(4-ethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 2432318
N-(4-methoxyphenyl)-N-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 2545143
4-methoxy-N-{4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]benzyl}benzenesulfonamide
CID 3241872
3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414554
3-[benzyl-(4-methoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 16320992
4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 18107656
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 24817030
4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24979347
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 24979428

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide (CID 3239411) is N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is CZGJRTDMBLVGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-2-33-20-9-7-19(8-10-20)27-24(30)18-6-11-21(25)22(17-18)34(31,32)29-15-13-28(14-16-29)23-5-3-4-12-26-23/h3-12,17H,2,13-16H2,1H3,(H,27,30).
What are the key properties of N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide?
N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 484.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3239411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).