4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide

C17H21ClN4O2S — CID 124926686

IUPAC4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide
SMILESCN(C)CC/C(=N/Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O2S/c1-22(2)12-11-17(13-3-5-14(18)6-4-13)21-20-15-7-9-16(10-8-15)25(19,23)24/h3-10,20H,11-12H2,1-2H3,(H2,19,23,24)/b21-17-
InChIKeyKRNSNCABULNGSO-FXBPSFAMSA-N
MW380.90 g/mol
LogP2.76
Rot. Bonds7

About 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide

4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide (PubChem CID 124926686) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide
PubChem CID124926686
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide
SMILESCN(C)CC/C(=N/Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O2S/c1-22(2)12-11-17(13-3-5-14(18)6-4-13)21-20-15-7-9-16(10-8-15)25(19,23)24/h3-10,20H,11-12H2,1-2H3,(H2,19,23,24)/b21-17-
InChIKeyKRNSNCABULNGSO-FXBPSFAMSA-N
XLogP2.76
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.76
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-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide (CID 124926686) is 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide is CN(C)CC/C(=N/Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is KRNSNCABULNGSO-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-22(2)12-11-17(13-3-5-14(18)6-4-13)21-20-15-7-9-16(10-8-15)25(19,23)24/h3-10,20H,11-12H2,1-2H3,(H2,19,23,24)/b21-17-.
What are the key properties of 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide?
4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(4-chlorophenyl)-3-(dimethylamino)propylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 124926686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).