2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide

C14H22N4O4S — CID 58596086

IUPAC2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1/C(N)=N/O
InChIInChI=1S/C14H22N4O4S/c1-3-22-13-5-4-11(10-12(13)14(15)16-19)23(20,21)18-8-6-17(2)7-9-18/h4-5,10,19H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyKSNPHOBSUQWVQR-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.12
Rot. Bonds5

About 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide

2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide (PubChem CID 58596086) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
PubChem CID58596086
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1/C(N)=N/O
InChIInChI=1S/C14H22N4O4S/c1-3-22-13-5-4-11(10-12(13)14(15)16-19)23(20,21)18-8-6-17(2)7-9-18/h4-5,10,19H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyKSNPHOBSUQWVQR-UHFFFAOYSA-N
XLogP0.12
TPSA108.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 87274597
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 46951796
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466
(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97029826
N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
CID 6492315
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
methyl 5-(4-methylpiperazin-1-yl)sulfonyl-2-phenylmethoxybenzoate
CID 67107392
[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 6460118
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817212
methyl 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoate
CID 10784483

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The IUPAC name of 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide (CID 58596086) is 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The canonical SMILES for 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide is CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1/C(N)=N/O.
What is the InChIKey of 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The InChIKey is KSNPHOBSUQWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-3-22-13-5-4-11(10-12(13)14(15)16-19)23(20,21)18-8-6-17(2)7-9-18/h4-5,10,19H,3,6-9H2,1-2H3,(H2,15,16).
What are the key properties of 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide has a molecular weight of 342.42 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 58596086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).