(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane

C23H35ClN2OS — CID 176557337

IUPAC(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane
SMILESCC.CCCCC.Cc1ccc(S(=O)N/N=C(/Cl)c2c(C)cccc2C)cc1
InChIInChI=1S/C16H17ClN2OS.C5H12.C2H6/c1-11-7-9-14(10-8-11)21(20)19-18-16(17)15-12(2)5-4-6-13(15)3;1-3-5-4-2;1-2/h4-10,19H,1-3H3;3-5H2,1-2H3;1-2H3/b18-16+;;
InChIKeyDWRFOGNCJYPPKW-DDVLFWKVSA-N
MW423.07 g/mol
LogP7.05
Rot. Bonds6

About (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane

(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane (PubChem CID 176557337) has the molecular formula C23H35ClN2OS and a molecular weight of 423.07 g/mol. Its IUPAC name is (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane.

Molecular Properties

Compound Name(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane
PubChem CID176557337
Molecular FormulaC23H35ClN2OS
Molecular Weight423.07 g/mol
Exact Mass422.22
IUPAC Name(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane
SMILESCC.CCCCC.Cc1ccc(S(=O)N/N=C(/Cl)c2c(C)cccc2C)cc1
InChIInChI=1S/C16H17ClN2OS.C5H12.C2H6/c1-11-7-9-14(10-8-11)21(20)19-18-16(17)15-12(2)5-4-6-13(15)3;1-3-5-4-2;1-2/h4-10,19H,1-3H3;3-5H2,1-2H3;1-2H3/b18-16+;;
InChIKeyDWRFOGNCJYPPKW-DDVLFWKVSA-N
XLogP7.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.07
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane 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

N-[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide;ethane;propane
CID 170607588
N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
CID 170607634
(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride
CID 170607724
CID 170607530
CID 170607530
1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene
CID 101495794
2-heptyl-6-methylbenzoyl chloride
CID 22919764
1-chloro-4-methylbenzene;pentane
CID 142041532
1-[(S)-[(Z)-1-chloro-2-phenylhex-1-enyl]sulfinyl]-4-methylbenzene
CID 134875983
N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide
CID 176557213
hexane;1,2,3-trimethylbenzene
CID 159405289
1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529
(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide
CID 171487084

Frequently Asked Questions

What is the IUPAC name of (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane?
The IUPAC name of (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane (CID 176557337) is (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane.
What is the SMILES notation for (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane?
The canonical SMILES for (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane is CC.CCCCC.Cc1ccc(S(=O)N/N=C(/Cl)c2c(C)cccc2C)cc1.
What is the InChIKey of (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane?
The InChIKey is DWRFOGNCJYPPKW-DDVLFWKVSA-N. The full InChI is InChI=1S/C16H17ClN2OS.C5H12.C2H6/c1-11-7-9-14(10-8-11)21(20)19-18-16(17)15-12(2)5-4-6-13(15)3;1-3-5-4-2;1-2/h4-10,19H,1-3H3;3-5H2,1-2H3;1-2H3/b18-16+;;.
What are the key properties of (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane?
(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane has a molecular weight of 423.07 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane is sourced from PubChem (CID 176557337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).