4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide

C10H11N5O3S — CID 6897738

IUPAC4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide
SMILESC=C1NNC(=O)/C1=N\Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5,12-13H,1H2,(H,15,16)(H2,11,17,18)/b14-9-
InChIKeyKSHCLQFURMFDBK-ZROIWOOFSA-N
MW281.30 g/mol
LogP-0.75
Rot. Bonds3

About 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide

4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide (PubChem CID 6897738) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide
PubChem CID6897738
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide
SMILESC=C1NNC(=O)/C1=N\Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5,12-13H,1H2,(H,15,16)(H2,11,17,18)/b14-9-
InChIKeyKSHCLQFURMFDBK-ZROIWOOFSA-N
XLogP-0.75
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide (CID 6897738) is 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide is C=C1NNC(=O)/C1=N\Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is KSHCLQFURMFDBK-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5,12-13H,1H2,(H,15,16)(H2,11,17,18)/b14-9-.
What are the key properties of 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide?
4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of -0.75, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 6897738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).