N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide

C14H19ClN4O3S — CID 155663186

IUPACN'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide
SMILESO=C(CCCCCC(=O)N(S)N/N=C/c1cccc(Cl)c1)NO
InChIInChI=1S/C14H19ClN4O3S/c15-12-6-4-5-11(9-12)10-16-18-19(23)14(21)8-3-1-2-7-13(20)17-22/h4-6,9-10,18,22-23H,1-3,7-8H2,(H,17,20)/b16-10+
InChIKeyQHFWBRGNHHVMFA-MHWRWJLKSA-N
MW358.85 g/mol
LogP2.31
Rot. Bonds9

About N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide

N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide (PubChem CID 155663186) has the molecular formula C14H19ClN4O3S and a molecular weight of 358.85 g/mol. Its IUPAC name is N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide.

Molecular Properties

Compound NameN'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide
PubChem CID155663186
Molecular FormulaC14H19ClN4O3S
Molecular Weight358.85 g/mol
Exact Mass358.09
IUPAC NameN'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide
SMILESO=C(CCCCCC(=O)N(S)N/N=C/c1cccc(Cl)c1)NO
InChIInChI=1S/C14H19ClN4O3S/c15-12-6-4-5-11(9-12)10-16-18-19(23)14(21)8-3-1-2-7-13(20)17-22/h4-6,9-10,18,22-23H,1-3,7-8H2,(H,17,20)/b16-10+
InChIKeyQHFWBRGNHHVMFA-MHWRWJLKSA-N
XLogP2.31
TPSA94.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide
CID 19584989
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide
CID 142015642
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
The IUPAC name of N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide (CID 155663186) is N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide.
What is the SMILES notation for N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
The canonical SMILES for N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide is O=C(CCCCCC(=O)N(S)N/N=C/c1cccc(Cl)c1)NO.
What is the InChIKey of N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
The InChIKey is QHFWBRGNHHVMFA-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H19ClN4O3S/c15-12-6-4-5-11(9-12)10-16-18-19(23)14(21)8-3-1-2-7-13(20)17-22/h4-6,9-10,18,22-23H,1-3,7-8H2,(H,17,20)/b16-10+.
What are the key properties of N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide has a molecular weight of 358.85 g/mol, XLogP of 2.31, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide is sourced from PubChem (CID 155663186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).