4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C19H21FN2O3S — CID 3248945

IUPAC4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-6-5-7-16(12-14)21-19(23)15-8-9-17(20)18(13-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyIPVHJPTYAQYHJD-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.56
Rot. Bonds4

About 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 3248945) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID3248945
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-6-5-7-16(12-14)21-19(23)15-8-9-17(20)18(13-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyIPVHJPTYAQYHJD-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide
CID 5156681
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1101775
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4798285

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 3248945) is 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IPVHJPTYAQYHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-6-5-7-16(12-14)21-19(23)15-8-9-17(20)18(13-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3248945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).