sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide

C19H19N2NaO3S — CID 177427287

IUPACsodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide
SMILESC/C=C\Oc1cccc2c1/C(=N/[N-]S(=O)(=O)c1ccc(C)cc1)CC2.[Na+]
InChIInChI=1S/C19H19N2O3S.Na/c1-3-13-24-18-6-4-5-15-9-12-17(19(15)18)20-21-25(22,23)16-10-7-14(2)8-11-16;/h3-8,10-11,13H,9,12H2,1-2H3;/q-1;+1/b13-3-,20-17+;
InChIKeyPOGHIQJAWPXQIB-FZODIFQESA-N
MW378.43 g/mol
LogP1.32
Rot. Bonds5

About sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide

sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide (PubChem CID 177427287) has the molecular formula C19H19N2NaO3S and a molecular weight of 378.43 g/mol. Its IUPAC name is sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide.

Molecular Properties

Compound Namesodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide
PubChem CID177427287
Molecular FormulaC19H19N2NaO3S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Namesodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide
SMILESC/C=C\Oc1cccc2c1/C(=N/[N-]S(=O)(=O)c1ccc(C)cc1)CC2.[Na+]
InChIInChI=1S/C19H19N2O3S.Na/c1-3-13-24-18-6-4-5-15-9-12-17(19(15)18)20-21-25(22,23)16-10-7-14(2)8-11-16;/h3-8,10-11,13H,9,12H2,1-2H3;/q-1;+1/b13-3-,20-17+;
InChIKeyPOGHIQJAWPXQIB-FZODIFQESA-N
XLogP1.32
TPSA69.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide 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

sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide
CID 168976257
sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide
CID 134891456
sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
CID 88780829
[(E)-(4-ethenyl-2,3-dihydroinden-1-ylidene)amino] 4-methylbenzenesulfonate
CID 87357979
(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
CID 134855500
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 23539545
tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium
CID 174157420
(2-methyl-1H-isoquinolin-5-yl) 4-methylbenzenesulfonate
CID 57076118
[(2-methoxy-3,4-dihydronaphthalen-1-yl)amino] 4-methylbenzenesulfonate
CID 57175041
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl) 4-methylbenzenesulfonate
CID 72756933
N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 87787954

Frequently Asked Questions

What is the IUPAC name of sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide?
The IUPAC name of sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide (CID 177427287) is sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide.
What is the SMILES notation for sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide?
The canonical SMILES for sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide is C/C=C\Oc1cccc2c1/C(=N/[N-]S(=O)(=O)c1ccc(C)cc1)CC2.[Na+].
What is the InChIKey of sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide?
The InChIKey is POGHIQJAWPXQIB-FZODIFQESA-N. The full InChI is InChI=1S/C19H19N2O3S.Na/c1-3-13-24-18-6-4-5-15-9-12-17(19(15)18)20-21-25(22,23)16-10-7-14(2)8-11-16;/h3-8,10-11,13H,9,12H2,1-2H3;/q-1;+1/b13-3-,20-17+;.
What are the key properties of sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide?
sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide has a molecular weight of 378.43 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide is sourced from PubChem (CID 177427287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).