4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C19H21FN2O3S — CID 1010611

IUPAC4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)26(24,25)18-8-6-17(7-9-18)21-19(23)15-2-4-16(20)5-3-15/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyXJNRBYIJIASXFW-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.50
Rot. Bonds4

About 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 1010611) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID1010611
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)26(24,25)18-8-6-17(7-9-18)21-19(23)15-2-4-16(20)5-3-15/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyXJNRBYIJIASXFW-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
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CID 3307989
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
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4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
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4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
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N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26239772
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
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N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide
CID 166203793

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 1010611) is 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is XJNRBYIJIASXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-10-12-22(13-11-14)26(24,25)18-8-6-17(7-9-18)21-19(23)15-2-4-16(20)5-3-15/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 1010611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).