(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C16H20N4O4S — CID 55905760

IUPAC(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1
InChIInChI=1S/C16H20N4O4S/c1-18-12-15(11-17-18)25(22,23)20-8-6-19(7-9-20)16(21)13-4-3-5-14(10-13)24-2/h3-5,10-12H,6-9H2,1-2H3
InChIKeyVWABDFQGCWMXMN-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.58
Rot. Bonds4

About (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55905760) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID55905760
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1
InChIInChI=1S/C16H20N4O4S/c1-18-12-15(11-17-18)25(22,23)20-8-6-19(7-9-20)16(21)13-4-3-5-14(10-13)24-2/h3-5,10-12H,6-9H2,1-2H3
InChIKeyVWABDFQGCWMXMN-UHFFFAOYSA-N
XLogP0.58
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26869413
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 126477329
(3-methoxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778551
[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 39634194
[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 30872670
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26870111
(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2671434
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53078983
(7-methoxy-1-benzofuran-2-yl)-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 86266931
4-chloro-2-[4-(3-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34093530

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 55905760) is (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VWABDFQGCWMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-18-12-15(11-17-18)25(22,23)20-8-6-19(7-9-20)16(21)13-4-3-5-14(10-13)24-2/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 364.43 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55905760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).