4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide

C19H21FN2O3S — CID 27241778

IUPAC4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2F)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-9-11-22(12-10-14)26(24,25)18-13-15(7-8-17(18)20)19(23)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyQQBLVPDJQRAWNB-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.50
Rot. Bonds4

About 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide

4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide (PubChem CID 27241778) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
PubChem CID27241778
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2F)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-9-11-22(12-10-14)26(24,25)18-13-15(7-8-17(18)20)19(23)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyQQBLVPDJQRAWNB-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

N-(3,5-dichlorophenyl)-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4075000
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241519
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241165
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27242260
N-(3,4-difluorophenyl)-4-fluoro-3-(4-hydroxy-5-methylazepan-1-yl)sulfonylbenzamide
CID 118230125
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide;hydrochloride
CID 126479373

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The IUPAC name of 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide (CID 27241778) is 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide.
What is the SMILES notation for 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The canonical SMILES for 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide is CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2F)CC1.
What is the InChIKey of 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The InChIKey is QQBLVPDJQRAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-9-11-22(12-10-14)26(24,25)18-13-15(7-8-17(18)20)19(23)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide 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-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide is sourced from PubChem (CID 27241778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).