[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone

C17H18N2O3S — CID 90589122

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H18N2O3S/c20-17(14-6-10-18-11-7-14)19-12-8-16(9-13-19)23(21,22)15-4-2-1-3-5-15/h1-7,10-11,16H,8-9,12-13H2
InChIKeyWOCGFROBWDXZCV-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.16
Rot. Bonds3

About [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone

[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 90589122) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID90589122
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H18N2O3S/c20-17(14-6-10-18-11-7-14)19-12-8-16(9-13-19)23(21,22)15-4-2-1-3-5-15/h1-7,10-11,16H,8-9,12-13H2
InChIKeyWOCGFROBWDXZCV-UHFFFAOYSA-N
XLogP2.16
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 71808743
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 90584897
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 90592105
[4-(benzenesulfonyl)piperidin-1-yl]-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone
CID 124761344
[4-(benzenesulfonyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 90589363
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 129373846
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 90589122) is [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is WOCGFROBWDXZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17(14-6-10-18-11-7-14)19-12-8-16(9-13-19)23(21,22)15-4-2-1-3-5-15/h1-7,10-11,16H,8-9,12-13H2.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 330.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 90589122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).