(1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide

C6H11N3O2S — CID 67559889

IUPAC(1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide
SMILESNNC1=CC[C@@H](S(N)(=O)=O)C=C1
InChIInChI=1S/C6H11N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-3,6,9H,4,7H2,(H2,8,10,11)/t6-/m0/s1
InChIKeyWPYDZZQBRCLWFB-LURJTMIESA-N
MW189.24 g/mol
LogP-1.05
Rot. Bonds2

About (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide

(1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 67559889) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name(1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID67559889
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name(1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide
SMILESNNC1=CC[C@@H](S(N)(=O)=O)C=C1
InChIInChI=1S/C6H11N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-3,6,9H,4,7H2,(H2,8,10,11)/t6-/m0/s1
InChIKeyWPYDZZQBRCLWFB-LURJTMIESA-N
XLogP-1.05
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide (CID 67559889) is (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide is NNC1=CC[C@@H](S(N)(=O)=O)C=C1.
What is the InChIKey of (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is WPYDZZQBRCLWFB-LURJTMIESA-N. The full InChI is InChI=1S/C6H11N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-3,6,9H,4,7H2,(H2,8,10,11)/t6-/m0/s1.
What are the key properties of (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide?
(1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-hydrazinylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 67559889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).