4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide

C10H14ClN3OS — CID 79149650

IUPAC4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H14ClN3OS/c11-8-6-7(3-4-9(8)12)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,12-13H2,(H,14,15)
InChIKeyVFUBGGQZNRZCAR-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.78
Rot. Bonds5

About 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide

4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide (PubChem CID 79149650) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
PubChem CID79149650
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H14ClN3OS/c11-8-6-7(3-4-9(8)12)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,12-13H2,(H,14,15)
InChIKeyVFUBGGQZNRZCAR-UHFFFAOYSA-N
XLogP1.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.78
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

4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
CID 79527950
4-(4-amino-3-chlorophenyl)sulfanyl-1-morpholin-4-ylbutan-1-one
CID 79149550
5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
2-chloro-4-pentylsulfanylaniline
CID 79149939
2-chloro-4-(3-ethylsulfonylpropylsulfanyl)aniline
CID 79149286
2-chloro-4-(3-methylbut-3-enylsulfanyl)aniline
CID 114472752
2-chloro-4-propylsulfanylaniline
CID 79150326
2-chloro-4-[3-(propan-2-ylamino)propylsulfanyl]aniline
CID 79150149
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
CID 63581095
3-(4-aminophenyl)sulfanylpropanehydrazide
CID 63580911

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide?
The IUPAC name of 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide (CID 79149650) is 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide?
The canonical SMILES for 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide is NNC(=O)CCCSc1ccc(N)c(Cl)c1.
What is the InChIKey of 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide?
The InChIKey is VFUBGGQZNRZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c11-8-6-7(3-4-9(8)12)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,12-13H2,(H,14,15).
What are the key properties of 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide?
4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide has a molecular weight of 259.76 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 79149650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).