N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide

C19H21FN2O3S — CID 3218791

IUPACN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-4-2-3-5-18(14)19(23)21-16-10-12-22(13-11-16)26(24,25)17-8-6-15(20)7-9-17/h2-9,16H,10-13H2,1H3,(H,21,23)
InChIKeyIACUFWFPQTWIAA-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide

N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide (PubChem CID 3218791) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
PubChem CID3218791
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-4-2-3-5-18(14)19(23)21-16-10-12-22(13-11-16)26(24,25)17-8-6-15(20)7-9-17/h2-9,16H,10-13H2,1H3,(H,21,23)
InChIKeyIACUFWFPQTWIAA-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide
CID 47090079
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 86970649
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 24793463
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559903
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide (CID 3218791) is N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
The InChIKey is IACUFWFPQTWIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-4-2-3-5-18(14)19(23)21-16-10-12-22(13-11-16)26(24,25)17-8-6-15(20)7-9-17/h2-9,16H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 3218791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).