4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide

C21H20N4O2S — CID 25353158

IUPAC4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide
SMILESCCn1c2ccccc2c2cc(/C=N\Nc3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C21H20N4O2S/c1-2-25-20-6-4-3-5-18(20)19-13-15(7-12-21(19)25)14-23-24-16-8-10-17(11-9-16)28(22,26)27/h3-14,24H,2H2,1H3,(H2,22,26,27)/b23-14-
InChIKeyYRLCHGKHKDXQCU-UCQKPKSFSA-N
MW392.48 g/mol
LogP3.91
Rot. Bonds5

About 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide

4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 25353158) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID25353158
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide
SMILESCCn1c2ccccc2c2cc(/C=N\Nc3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C21H20N4O2S/c1-2-25-20-6-4-3-5-18(20)19-13-15(7-12-21(19)25)14-23-24-16-8-10-17(11-9-16)28(22,26)27/h3-14,24H,2H2,1H3,(H2,22,26,27)/b23-14-
InChIKeyYRLCHGKHKDXQCU-UCQKPKSFSA-N
XLogP3.91
TPSA89.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide (CID 25353158) is 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide is CCn1c2ccccc2c2cc(/C=N\Nc3ccc(S(N)(=O)=O)cc3)ccc21.
What is the InChIKey of 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is YRLCHGKHKDXQCU-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-2-25-20-6-4-3-5-18(20)19-13-15(7-12-21(19)25)14-23-24-16-8-10-17(11-9-16)28(22,26)27/h3-14,24H,2H2,1H3,(H2,22,26,27)/b23-14-.
What are the key properties of 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide?
4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 25353158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).