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

C19H21NO3S — CID 110394558

IUPAC[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
SMILESCc1cccc(S(=O)(=O)N2CCCC(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C19H21NO3S/c1-15-7-5-11-18(13-15)24(22,23)20-12-6-10-17(14-20)19(21)16-8-3-2-4-9-16/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3
InChIKeySEKUHOSECBVMOA-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.28
Rot. Bonds4

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

[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone (PubChem CID 110394558) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
PubChem CID110394558
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
SMILESCc1cccc(S(=O)(=O)N2CCCC(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C19H21NO3S/c1-15-7-5-11-18(13-15)24(22,23)20-12-6-10-17(14-20)19(21)16-8-3-2-4-9-16/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3
InChIKeySEKUHOSECBVMOA-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

(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 17476145
[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone
CID 110394645
3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
methyl 1-(3-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47320003
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-[3-(dimethylamino)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 120605790
1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071827

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone?
The IUPAC name of [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone (CID 110394558) is [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone?
The canonical SMILES for [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone is Cc1cccc(S(=O)(=O)N2CCCC(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone?
The InChIKey is SEKUHOSECBVMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-7-5-11-18(13-15)24(22,23)20-12-6-10-17(14-20)19(21)16-8-3-2-4-9-16/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3.
What are the key properties of [1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone?
[1-(3-methylphenyl)sulfonylpiperidin-3-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-3-yl]-phenylmethanone is sourced from PubChem (CID 110394558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).