2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide

C15H14Cl2N4OS — CID 143191965

IUPAC2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide
SMILES[H]/N=C(\C(=O)NN)c1ccc(S)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4OS/c16-9-2-1-8(12(17)5-9)7-20-13-6-10(23)3-4-11(13)14(18)15(22)21-19/h1-6,18,20,23H,7,19H2,(H,21,22)/b18-14-
InChIKeyYLLDJMKGJAWLHV-JXAWBTAJSA-N
MW369.28 g/mol
LogP3.25
Rot. Bonds5

About 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide

2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide (PubChem CID 143191965) has the molecular formula C15H14Cl2N4OS and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide
PubChem CID143191965
Molecular FormulaC15H14Cl2N4OS
Molecular Weight369.28 g/mol
Exact Mass368.03
IUPAC Name2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide
SMILES[H]/N=C(\C(=O)NN)c1ccc(S)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4OS/c16-9-2-1-8(12(17)5-9)7-20-13-6-10(23)3-4-11(13)14(18)15(22)21-19/h1-6,18,20,23H,7,19H2,(H,21,22)/b18-14-
InChIKeyYLLDJMKGJAWLHV-JXAWBTAJSA-N
XLogP3.25
TPSA91.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide
CID 143191952
2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide
CID 163876538
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
ethyl 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(1-formyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2-iminoacetate
CID 130444234
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
methyl (E)-4-[2-[(2,4-dichlorophenyl)methylamino]-4-methylsulfonylphenyl]-4-iminobut-2-enoate
CID 143192011
ethyl (E)-4-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-4-iminobut-2-enoate
CID 143192048
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
CID 143179363
(E)-N'-amino-4-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-4-iminobut-2-enimidamide
CID 143191976
methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
CID 43679189
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide (CID 143191965) is 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide is [H]/N=C(\C(=O)NN)c1ccc(S)cc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide?
The InChIKey is YLLDJMKGJAWLHV-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H14Cl2N4OS/c16-9-2-1-8(12(17)5-9)7-20-13-6-10(23)3-4-11(13)14(18)15(22)21-19/h1-6,18,20,23H,7,19H2,(H,21,22)/b18-14-.
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide?
2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide has a molecular weight of 369.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide is sourced from PubChem (CID 143191965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).