4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide

C18H20FN3O3S — CID 51168489

IUPAC4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c1-14-5-7-16(8-6-14)20-18(23)21-9-11-22(12-10-21)26(24,25)17-4-2-3-15(19)13-17/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyZIYMBCRQUNJUEL-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.67
Rot. Bonds3

About 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide

4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 51168489) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID51168489
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c1-14-5-7-16(8-6-14)20-18(23)21-9-11-22(12-10-21)26(24,25)17-4-2-3-15(19)13-17/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyZIYMBCRQUNJUEL-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27868228
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
N-[(3-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108898628
N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 6467928
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
4-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 8681189
N-(2,5-dimethylphenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8681199
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 27828098
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide (CID 51168489) is 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is ZIYMBCRQUNJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-14-5-7-16(8-6-14)20-18(23)21-9-11-22(12-10-21)26(24,25)17-4-2-3-15(19)13-17/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide?
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51168489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).