(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide

C9H9Cl2NOS — CID 164646072

IUPAC(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide
SMILESC/C(=N/S(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NOS/c1-6(12-14(2)13)7-3-4-8(10)9(11)5-7/h3-5H,1-2H3/b12-6-
InChIKeyFGTMRLIDSGYZHH-SDQBBNPISA-N
MW250.15 g/mol
LogP3.10
Rot. Bonds2

About (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide

(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide (PubChem CID 164646072) has the molecular formula C9H9Cl2NOS and a molecular weight of 250.15 g/mol. Its IUPAC name is (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide.

Molecular Properties

Compound Name(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide
PubChem CID164646072
Molecular FormulaC9H9Cl2NOS
Molecular Weight250.15 g/mol
Exact Mass248.98
IUPAC Name(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide
SMILESC/C(=N/S(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NOS/c1-6(12-14(2)13)7-3-4-8(10)9(11)5-7/h3-5H,1-2H3/b12-6-
InChIKeyFGTMRLIDSGYZHH-SDQBBNPISA-N
XLogP3.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
N-[1-(4-isocyanophenyl)ethylidene]methanesulfinamide
CID 164955691
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
1-(3,4-dichlorophenyl)-2-pyridin-4-ylethane-1,2-dione;methylsulfinylmethane
CID 70123676
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
CID 3972659
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
CID 87184625

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide?
The IUPAC name of (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide (CID 164646072) is (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide.
What is the SMILES notation for (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide?
The canonical SMILES for (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide is C/C(=N/S(C)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide?
The InChIKey is FGTMRLIDSGYZHH-SDQBBNPISA-N. The full InChI is InChI=1S/C9H9Cl2NOS/c1-6(12-14(2)13)7-3-4-8(10)9(11)5-7/h3-5H,1-2H3/b12-6-.
What are the key properties of (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide?
(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide has a molecular weight of 250.15 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide is sourced from PubChem (CID 164646072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).