(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C19H22N2O3S — CID 1075998

IUPAC(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-7-9-17(10-8-15)25(23,24)21-13-11-20(12-14-21)19(22)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3
InChIKeyQKPQMBVQGFGNPC-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.45
Rot. Bonds3

About (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 1075998) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID1075998
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-7-9-17(10-8-15)25(23,24)21-13-11-20(12-14-21)19(22)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3
InChIKeyQKPQMBVQGFGNPC-UHFFFAOYSA-N
XLogP2.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 7535266
(2,5-dimethylthiophen-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9368543
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
4-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27329948
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
CID 55755455
[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 17420704
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 1075998) is (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is QKPQMBVQGFGNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-7-9-17(10-8-15)25(23,24)21-13-11-20(12-14-21)19(22)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3.
What are the key properties of (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 358.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 1075998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).