2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide

C14H14ClN3OS — CID 79142609

IUPAC2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CSc1cc(N)ccc1Cl
InChIInChI=1S/C14H14ClN3OS/c15-12-6-5-10(16)7-13(12)20-8-9-3-1-2-4-11(9)14(19)18-17/h1-7H,8,16-17H2,(H,18,19)
InChIKeyIYTZGFGFZPLFNI-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.82
Rot. Bonds4

About 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide

2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide (PubChem CID 79142609) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
PubChem CID79142609
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CSc1cc(N)ccc1Cl
InChIInChI=1S/C14H14ClN3OS/c15-12-6-5-10(16)7-13(12)20-8-9-3-1-2-4-11(9)14(19)18-17/h1-7H,8,16-17H2,(H,18,19)
InChIKeyIYTZGFGFZPLFNI-UHFFFAOYSA-N
XLogP2.82
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 79142522
2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide
CID 43305543
2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79146518
2-[4-[(5-amino-2-chlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 105345252
2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63582300
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
CID 79141355
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzoic acid
CID 79140772
4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
methyl 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzoate
CID 79133291
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79134512
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 63580788

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide (CID 79142609) is 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide is NNC(=O)c1ccccc1CSc1cc(N)ccc1Cl.
What is the InChIKey of 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is IYTZGFGFZPLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-12-6-5-10(16)7-13(12)20-8-9-3-1-2-4-11(9)14(19)18-17/h1-7H,8,16-17H2,(H,18,19).
What are the key properties of 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide?
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 307.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 79142609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).