(4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C17H18FNO3S2 — CID 110394259

IUPAC(4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCc1cc(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)ccc1F
InChIInChI=1S/C17H18FNO3S2/c1-12-11-14(4-5-15(12)18)17(20)13-6-8-19(9-7-13)24(21,22)16-3-2-10-23-16/h2-5,10-11,13H,6-9H2,1H3
InChIKeyDXMLDBQERNSWTM-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.48
Rot. Bonds4

About (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

(4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 110394259) has the molecular formula C17H18FNO3S2 and a molecular weight of 367.47 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID110394259
Molecular FormulaC17H18FNO3S2
Molecular Weight367.47 g/mol
Exact Mass367.07
IUPAC Name(4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCc1cc(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)ccc1F
InChIInChI=1S/C17H18FNO3S2/c1-12-11-14(4-5-15(12)18)17(20)13-6-8-19(9-7-13)24(21,22)16-3-2-10-23-16/h2-5,10-11,13H,6-9H2,1H3
InChIKeyDXMLDBQERNSWTM-UHFFFAOYSA-N
XLogP3.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366490
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
1-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366560
1-thiophen-2-ylsulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 41019461
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110394232

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 110394259) is (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is Cc1cc(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is DXMLDBQERNSWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S2/c1-12-11-14(4-5-15(12)18)17(20)13-6-8-19(9-7-13)24(21,22)16-3-2-10-23-16/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
(4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 110394259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).