4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide

C14H14ClN3O2S — CID 7066751

IUPAC4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O2S/c1-10(11-2-4-12(15)5-3-11)17-18-13-6-8-14(9-7-13)21(16,19)20/h2-9,18H,1H3,(H2,16,19,20)/b17-10+
InChIKeyOQEHIRQHFIDZSB-LICLKQGHSA-N
MW323.81 g/mol
LogP2.82
Rot. Bonds4

About 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide

4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 7066751) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID7066751
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O2S/c1-10(11-2-4-12(15)5-3-11)17-18-13-6-8-14(9-7-13)21(16,19)20/h2-9,18H,1H3,(H2,16,19,20)/b17-10+
InChIKeyOQEHIRQHFIDZSB-LICLKQGHSA-N
XLogP2.82
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide
CID 124926686
4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 18282586
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate
CID 3424835
4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
CID 9058961
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6256280
4-[(2E)-2-[1-(3,4-dichlorophenyl)propylidene]hydrazinyl]benzenesulfonamide
CID 55355098
4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
1-(4-chlorophenyl)-3-[4-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]urea
CID 3694395
2-N-(3-chloro-4-fluorophenyl)-4-N,6-N-bis[1-(4-methylsulfonylphenyl)ethylideneamino]pyrimidine-2,4,6-triamine
CID 139976869

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide (CID 7066751) is 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide is C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is OQEHIRQHFIDZSB-LICLKQGHSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-10(11-2-4-12(15)5-3-11)17-18-13-6-8-14(9-7-13)21(16,19)20/h2-9,18H,1H3,(H2,16,19,20)/b17-10+.
What are the key properties of 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 323.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 7066751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).