2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide

C15H16BrN3OS — CID 105352521

IUPAC2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2cc(Br)ccc2N)cc1
InChIInChI=1S/C15H16BrN3OS/c16-12-5-6-13(17)14(8-12)21-9-11-3-1-10(2-4-11)7-15(20)19-18/h1-6,8H,7,9,17-18H2,(H,19,20)
InChIKeyNLMCDJLGKBXWRY-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.86
Rot. Bonds5

About 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide

2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 105352521) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID105352521
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2cc(Br)ccc2N)cc1
InChIInChI=1S/C15H16BrN3OS/c16-12-5-6-13(17)14(8-12)21-9-11-3-1-10(2-4-11)7-15(20)19-18/h1-6,8H,7,9,17-18H2,(H,19,20)
InChIKeyNLMCDJLGKBXWRY-UHFFFAOYSA-N
XLogP2.86
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.86
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

2-[2-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetic acid
CID 115461031
4-[(2-amino-5-bromophenyl)sulfanylmethyl]-3-bromobenzoic acid
CID 102765914
2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79533926
2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352343
5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79533674
2-[4-[(2-amino-5-fluorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 105345258
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
4-bromo-2-[(4-bromo-2-chlorophenyl)methylsulfanyl]aniline
CID 113471038
4-bromo-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]aniline
CID 79533025
3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
4-[(2-amino-5-bromophenyl)sulfanylmethyl]-5-methylthiophene-2-carboxylic acid
CID 80731457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide (CID 105352521) is 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CSc2cc(Br)ccc2N)cc1.
What is the InChIKey of 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is NLMCDJLGKBXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c16-12-5-6-13(17)14(8-12)21-9-11-3-1-10(2-4-11)7-15(20)19-18/h1-6,8H,7,9,17-18H2,(H,19,20).
What are the key properties of 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide?
2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 366.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).