[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone

C19H21NO3S — CID 110394034

IUPAC[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21NO3S/c1-15-6-5-9-18(14-15)24(22,23)20-12-10-17(11-13-20)19(21)16-7-3-2-4-8-16/h2-9,14,17H,10-13H2,1H3
InChIKeyWNYNMYJUJQJCMN-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.28
Rot. Bonds4

About [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone

[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone (PubChem CID 110394034) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
PubChem CID110394034
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21NO3S/c1-15-6-5-9-18(14-15)24(22,23)20-12-10-17(11-13-20)19(21)16-7-3-2-4-8-16/h2-9,14,17H,10-13H2,1H3
InChIKeyWNYNMYJUJQJCMN-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 55913947
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone (CID 110394034) is [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone is Cc1cccc(S(=O)(=O)N2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone?
The InChIKey is WNYNMYJUJQJCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-6-5-9-18(14-15)24(22,23)20-12-10-17(11-13-20)19(21)16-7-3-2-4-8-16/h2-9,14,17H,10-13H2,1H3.
What are the key properties of [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone?
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone has a molecular weight of 343.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 110394034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).