(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride

C15H11Cl2N3OS — CID 170607724

IUPAC(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride
SMILESCc1ccc(S(=O)N/N=C(\Cl)c2c(Cl)cccc2C#N)cc1
InChIInChI=1S/C15H11Cl2N3OS/c1-10-5-7-12(8-6-10)22(21)20-19-15(17)14-11(9-18)3-2-4-13(14)16/h2-8,20H,1H3/b19-15-
InChIKeyZIWTXKKKGSXBRW-CYVLTUHYSA-N
MW352.25 g/mol
LogP3.73
Rot. Bonds4

About (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride

(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride (PubChem CID 170607724) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride
PubChem CID170607724
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride
SMILESCc1ccc(S(=O)N/N=C(\Cl)c2c(Cl)cccc2C#N)cc1
InChIInChI=1S/C15H11Cl2N3OS/c1-10-5-7-12(8-6-10)22(21)20-19-15(17)14-11(9-18)3-2-4-13(14)16/h2-8,20H,1H3/b19-15-
InChIKeyZIWTXKKKGSXBRW-CYVLTUHYSA-N
XLogP3.73
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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
CID 170607530
CID 170607530
4-methyl-N-(1-phenylethenyl)benzenesulfinamide
CID 134881500
tritio 2-cyano-6-methylbenzoate
CID 88949376
2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid
CID 53227197
1-chloro-3-methyl-2-[(E)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
CID 170608084
[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium
CID 170608254
acetic acid;2,3-dichlorobenzonitrile
CID 175302579
3-chloro-2-ethylbenzonitrile;propane;toluene
CID 162114845
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
CID 134623799
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride (CID 170607724) is (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride is Cc1ccc(S(=O)N/N=C(\Cl)c2c(Cl)cccc2C#N)cc1.
What is the InChIKey of (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride?
The InChIKey is ZIWTXKKKGSXBRW-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c1-10-5-7-12(8-6-10)22(21)20-19-15(17)14-11(9-18)3-2-4-13(14)16/h2-8,20H,1H3/b19-15-.
What are the key properties of (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride?
(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride has a molecular weight of 352.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 170607724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).