[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone

C17H24N2O4S — CID 4880520

IUPAC[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-3-23-14-4-6-15(7-5-14)24(21,22)19-10-8-18(9-11-19)17(20)16-12-13(16)2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyTXRYGDCHZVMZKT-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.57
Rot. Bonds5

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

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 4880520) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID4880520
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-3-23-14-4-6-15(7-5-14)24(21,22)19-10-8-18(9-11-19)17(20)16-12-13(16)2/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyTXRYGDCHZVMZKT-UHFFFAOYSA-N
XLogP1.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
[4-(3-Bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 9116113
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
N-(2-Azepan-1-yl-2-oxo-ethyl)-4-methoxy-N-methyl-benzenesulfonamide
CID 893362
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
Ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
CID 4095236
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
(3R)-1-hydroxy-4-(4-phenoxyphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione
CID 56835167
Ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 848330
1-{N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}piperidine-4-carboxamide
CID 982331

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone (CID 4880520) is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is TXRYGDCHZVMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-3-23-14-4-6-15(7-5-14)24(21,22)19-10-8-18(9-11-19)17(20)16-12-13(16)2/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 352.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 4880520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).