2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

C18H20FN3O3S — CID 1087170

IUPAC2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c1-26(24,25)22-12-10-21(11-13-22)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyWPGPPWBNLYZZDJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.16
Rot. Bonds4

About 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1087170) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
PubChem CID1087170
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c1-26(24,25)22-12-10-21(11-13-22)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyWPGPPWBNLYZZDJ-UHFFFAOYSA-N
XLogP2.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
5-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 3266339
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
2-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3656658
2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1396003
3-bromo-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1421697
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
N-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-2-fluorobenzamide
CID 45243203
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (CID 1087170) is 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is WPGPPWBNLYZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-26(24,25)22-12-10-21(11-13-22)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1087170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).