5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide

C11H16ClN3OS — CID 79527950

IUPAC5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
SMILESNNC(=O)CCCCSc1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3OS/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(16)15-14/h4-5,7H,1-3,6,13-14H2,(H,15,16)
InChIKeyBYQXEXCRPHFGPY-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.17
Rot. Bonds6

About 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide

5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide (PubChem CID 79527950) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
PubChem CID79527950
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
SMILESNNC(=O)CCCCSc1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3OS/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(16)15-14/h4-5,7H,1-3,6,13-14H2,(H,15,16)
InChIKeyBYQXEXCRPHFGPY-UHFFFAOYSA-N
XLogP2.17
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
CID 79143496
6-(2-amino-5-chlorophenyl)sulfanylhexan-1-ol
CID 107704002
5-(2,5-difluorophenyl)sulfanylpentanehydrazide
CID 55215054
4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
CID 79149650
3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 79525427
4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
CID 63581095
4-chloro-2-(3-ethylsulfonylpropylsulfanyl)aniline
CID 79528650
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
4-chloro-2-(3-methoxypropylsulfanyl)aniline
CID 79527904
1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]triazole-4-carbohydrazide
CID 79528117
5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
2-(2-amino-5-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79527889

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide?
The IUPAC name of 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide (CID 79527950) is 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide?
The canonical SMILES for 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide is NNC(=O)CCCCSc1cc(Cl)ccc1N.
What is the InChIKey of 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide?
The InChIKey is BYQXEXCRPHFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(16)15-14/h4-5,7H,1-3,6,13-14H2,(H,15,16).
What are the key properties of 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide?
5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide has a molecular weight of 273.79 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 79527950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).