4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate

C19H24N3O3S- — CID 3667454

IUPAC4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate
SMILESCCCN(CCC)c1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-13-22(14-4-2)18-9-5-16(6-10-18)15-20-21-17-7-11-19(12-8-17)26(23,24)25/h5-12,15,21H,3-4,13-14H2,1-2H3,(H,23,24,25)/p-1
InChIKeyQGYPVLVAEWPKSL-UHFFFAOYSA-M
MW374.49 g/mol
LogP3.66
Rot. Bonds9

About 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate

4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate (PubChem CID 3667454) has the molecular formula C19H24N3O3S- and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate.

Molecular Properties

Compound Name4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate
PubChem CID3667454
Molecular FormulaC19H24N3O3S-
Molecular Weight374.49 g/mol
Exact Mass374.15
IUPAC Name4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate
SMILESCCCN(CCC)c1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-3-13-22(14-4-2)18-9-5-16(6-10-18)15-20-21-17-7-11-19(12-8-17)26(23,24)25/h5-12,15,21H,3-4,13-14H2,1-2H3,(H,23,24,25)/p-1
InChIKeyQGYPVLVAEWPKSL-UHFFFAOYSA-M
XLogP3.66
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline
CID 177485255
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
CID 135458846
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
4-[2-[(4-chlorophenyl)methylidene]hydrazinyl]benzenesulfonate;pyridin-1-ium
CID 139904463
N-[[4-(dipropylamino)phenyl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 3468738
4-[(2E)-2-[[4-(5,7,12,14-tetraoxo-13-phenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)phenyl]methylidene]hydrazinyl]benzenesulfonate
CID 45253905
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 5335146
N-[4-(dipropylamino)phenyl]propane-1-sulfonamide
CID 112985658
4-[2-[[4-[ethyl(4-hydroxybutyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid
CID 164863185
4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 50886734
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate?
The IUPAC name of 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate (CID 3667454) is 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate.
What is the SMILES notation for 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate?
The canonical SMILES for 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate is CCCN(CCC)c1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate?
The InChIKey is QGYPVLVAEWPKSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H25N3O3S/c1-3-13-22(14-4-2)18-9-5-16(6-10-18)15-20-21-17-7-11-19(12-8-17)26(23,24)25/h5-12,15,21H,3-4,13-14H2,1-2H3,(H,23,24,25)/p-1.
What are the key properties of 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate?
4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate has a molecular weight of 374.49 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]benzenesulfonate is sourced from PubChem (CID 3667454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).