[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone

C19H20BrNO3S — CID 55913947

IUPAC[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C19H20BrNO3S/c1-14-5-7-15(8-6-14)19(22)16-9-11-21(12-10-16)25(23,24)18-4-2-3-17(20)13-18/h2-8,13,16H,9-12H2,1H3
InChIKeyAAJPPVHVNVJDBI-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.04
Rot. Bonds4

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

[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 55913947) has the molecular formula C19H20BrNO3S and a molecular weight of 422.34 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID55913947
Molecular FormulaC19H20BrNO3S
Molecular Weight422.34 g/mol
Exact Mass421.03
IUPAC Name[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C19H20BrNO3S/c1-14-5-7-15(8-6-14)19(22)16-9-11-21(12-10-16)25(23,24)18-4-2-3-17(20)13-18/h2-8,13,16H,9-12H2,1H3
InChIKeyAAJPPVHVNVJDBI-UHFFFAOYSA-N
XLogP4.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.04
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-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
2-chloro-4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 55914969
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
methyl 1-(3-bromophenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305556
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122373730

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone (CID 55913947) is [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1.
What is the InChIKey of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is AAJPPVHVNVJDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3S/c1-14-5-7-15(8-6-14)19(22)16-9-11-21(12-10-16)25(23,24)18-4-2-3-17(20)13-18/h2-8,13,16H,9-12H2,1H3.
What are the key properties of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 422.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 55913947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).