N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide

C13H19N3O6S — CID 20626166

IUPACN-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2)c(C(=O)NO)c1OC
InChIInChI=1S/C13H19N3O6S/c1-21-9-3-4-10(11(12(9)22-2)13(17)15-18)23(19,20)16-7-5-14-6-8-16/h3-4,14,18H,5-8H2,1-2H3,(H,15,17)
InChIKeyDBPMWFJVUJLYLQ-UHFFFAOYSA-N
MW345.38 g/mol
LogP-0.58
Rot. Bonds5

About N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide

N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide (PubChem CID 20626166) has the molecular formula C13H19N3O6S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide
PubChem CID20626166
Molecular FormulaC13H19N3O6S
Molecular Weight345.38 g/mol
Exact Mass345.10
IUPAC NameN-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2)c(C(=O)NO)c1OC
InChIInChI=1S/C13H19N3O6S/c1-21-9-3-4-10(11(12(9)22-2)13(17)15-18)23(19,20)16-7-5-14-6-8-16/h3-4,14,18H,5-8H2,1-2H3,(H,15,17)
InChIKeyDBPMWFJVUJLYLQ-UHFFFAOYSA-N
XLogP-0.58
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
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

N-hydroxy-2,3-dimethoxy-6-(4-methylpiperidin-1-yl)sulfonylbenzamide;4-methylpyridine
CID 142206649
6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]sulfonyl-N-hydroxy-2,3-dimethoxybenzamide
CID 59096985
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
3-methoxy-4-piperazin-1-ylsulfonylbenzonitrile;hydrochloride
CID 120999088
5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride
CID 154907802
1,4-diazepane;5-(1,4-diazepan-1-ylsulfonyl)-8-methoxy-1-methylisoquinoline;methane;8-methoxy-1-methylisoquinoline-5-sulfonic acid
CID 161059985
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
CID 20613325
methyl (E)-3-(3,4-dimethoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoate
CID 47081365
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961772
methyl 4-(1,4-diazepan-1-ylsulfonyl)-3-methylbenzoate
CID 119963560

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide?
The IUPAC name of N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide (CID 20626166) is N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide?
The canonical SMILES for N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCNCC2)c(C(=O)NO)c1OC.
What is the InChIKey of N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide?
The InChIKey is DBPMWFJVUJLYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6S/c1-21-9-3-4-10(11(12(9)22-2)13(17)15-18)23(19,20)16-7-5-14-6-8-16/h3-4,14,18H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide?
N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide has a molecular weight of 345.38 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide is sourced from PubChem (CID 20626166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).