5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide

C13H19N3O4S — CID 70847897

IUPAC5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(O)c(C(N)=O)c2)CC1
InChIInChI=1S/C13H19N3O4S/c1-2-15-5-7-16(8-6-15)21(19,20)10-3-4-12(17)11(9-10)13(14)18/h3-4,9,17H,2,5-8H2,1H3,(H2,14,18)
InChIKeyKZOXGMJKLQIJMP-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.18
Rot. Bonds4

About 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide

5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide (PubChem CID 70847897) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide
PubChem CID70847897
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(O)c(C(N)=O)c2)CC1
InChIInChI=1S/C13H19N3O4S/c1-2-15-5-7-16(8-6-15)21(19,20)10-3-4-12(17)11(9-10)13(14)18/h3-4,9,17H,2,5-8H2,1H3,(H2,14,18)
InChIKeyKZOXGMJKLQIJMP-UHFFFAOYSA-N
XLogP-0.18
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 87274597
phenyl 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzoate
CID 8765429
5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 141012525
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168552
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 43816576
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 28591390
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide (CID 70847897) is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide is CCN1CCN(S(=O)(=O)c2ccc(O)c(C(N)=O)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide?
The InChIKey is KZOXGMJKLQIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-2-15-5-7-16(8-6-15)21(19,20)10-3-4-12(17)11(9-10)13(14)18/h3-4,9,17H,2,5-8H2,1H3,(H2,14,18).
What are the key properties of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide?
5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide has a molecular weight of 313.38 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide is sourced from PubChem (CID 70847897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).