3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide

C14H14ClN3OS — CID 63582189

IUPAC3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1cccc(CSc2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H14ClN3OS/c15-11-4-5-13(12(16)7-11)20-8-9-2-1-3-10(6-9)14(19)18-17/h1-7H,8,16-17H2,(H,18,19)
InChIKeyCIDWKYGKBUZNRO-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.82
Rot. Bonds4

About 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide

3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide (PubChem CID 63582189) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
PubChem CID63582189
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1cccc(CSc2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H14ClN3OS/c15-11-4-5-13(12(16)7-11)20-8-9-2-1-3-10(6-9)14(19)18-17/h1-7H,8,16-17H2,(H,18,19)
InChIKeyCIDWKYGKBUZNRO-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-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
methyl 4-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzoate
CID 28942620
3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
CID 43250778
3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
CID 63580079
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224765

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide (CID 63582189) is 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide is NNC(=O)c1cccc(CSc2ccc(Cl)cc2N)c1.
What is the InChIKey of 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is CIDWKYGKBUZNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-11-4-5-13(12(16)7-11)20-8-9-2-1-3-10(6-9)14(19)18-17/h1-7H,8,16-17H2,(H,18,19).
What are the key properties of 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide?
3-[(2-amino-4-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 3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 63582189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).