[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone

C19H22N2O4S — CID 8799910

IUPAC[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-15-8-9-17(25-2)18(14-15)26(23,24)21-12-10-20(11-13-21)19(22)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyKSRZVDBRXPCDRZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.15
Rot. Bonds4

About [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone

[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone (PubChem CID 8799910) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
PubChem CID8799910
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-15-8-9-17(25-2)18(14-15)26(23,24)21-12-10-20(11-13-21)19(22)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyKSRZVDBRXPCDRZ-UHFFFAOYSA-N
XLogP2.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2052004
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
[4-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23964874
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 24533466
(3-chlorophenyl)-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567986
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
CID 26020417
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine
CID 110399025

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone (CID 8799910) is [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone is COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The InChIKey is KSRZVDBRXPCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-8-9-17(25-2)18(14-15)26(23,24)21-12-10-20(11-13-21)19(22)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone has a molecular weight of 374.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 8799910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).