4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide

C19H23N3O6S — CID 58845026

IUPAC4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(C(=O)NO)cc3)CC2)c1
InChIInChI=1S/C19H23N3O6S/c1-27-16-7-8-17(28-2)18(13-16)29(25,26)22-11-9-21(10-12-22)15-5-3-14(4-6-15)19(23)20-24/h3-8,13,24H,9-12H2,1-2H3,(H,20,23)
InChIKeyKYUVHOMCWNUVGC-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.33
Rot. Bonds6

About 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide

4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide (PubChem CID 58845026) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
PubChem CID58845026
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(C(=O)NO)cc3)CC2)c1
InChIInChI=1S/C19H23N3O6S/c1-27-16-7-8-17(28-2)18(13-16)29(25,26)22-11-9-21(10-12-22)15-5-3-14(4-6-15)19(23)20-24/h3-8,13,24H,9-12H2,1-2H3,(H,20,23)
InChIKeyKYUVHOMCWNUVGC-UHFFFAOYSA-N
XLogP1.33
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid
CID 4741945
N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide
CID 58845142
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084
1-[4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 31758345

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide (CID 58845026) is 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(C(=O)NO)cc3)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide?
The InChIKey is KYUVHOMCWNUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-27-16-7-8-17(28-2)18(13-16)29(25,26)22-11-9-21(10-12-22)15-5-3-14(4-6-15)19(23)20-24/h3-8,13,24H,9-12H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide?
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide has a molecular weight of 421.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide is sourced from PubChem (CID 58845026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).