N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide

C24H31FN4O3S — CID 15945308

IUPACN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O3S/c1-2-27-14-16-28(17-15-27)23-11-10-21(33(31,32)29-12-4-3-5-13-29)18-22(23)26-24(30)19-6-8-20(25)9-7-19/h6-11,18H,2-5,12-17H2,1H3,(H,26,30)
InChIKeyLYGATBVOTBDKMA-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide

N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide (PubChem CID 15945308) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide
PubChem CID15945308
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O3S/c1-2-27-14-16-28(17-15-27)23-11-10-21(33(31,32)29-12-4-3-5-13-29)18-22(23)26-24(30)19-6-8-20(25)9-7-19/h6-11,18H,2-5,12-17H2,1H3,(H,26,30)
InChIKeyLYGATBVOTBDKMA-UHFFFAOYSA-N
XLogP3.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

USP30 inhibitor 18
CID 142474792
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 4261850
2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 4173596
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16318701
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
N-benzoyl-N'-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea
CID 4778549
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 16282216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide (CID 15945308) is N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide?
The InChIKey is LYGATBVOTBDKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-2-27-14-16-28(17-15-27)23-11-10-21(33(31,32)29-12-4-3-5-13-29)18-22(23)26-24(30)19-6-8-20(25)9-7-19/h6-11,18H,2-5,12-17H2,1H3,(H,26,30).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide?
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide has a molecular weight of 474.60 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 15945308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).