5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide

C15H12ClN3OS — CID 506858

IUPAC5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
InChIInChI=1S/C15H12ClN3OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(20)19-17)21-10-4-2-1-3-5-10/h1-8,18H,17H2,(H,19,20)
InChIKeyYTTMFVVKMWEQFX-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.58
Rot. Bonds3

About 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide

5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide (PubChem CID 506858) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide
PubChem CID506858
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
InChIInChI=1S/C15H12ClN3OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(20)19-17)21-10-4-2-1-3-5-10/h1-8,18H,17H2,(H,19,20)
InChIKeyYTTMFVVKMWEQFX-UHFFFAOYSA-N
XLogP3.58
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide?
The IUPAC name of 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide (CID 506858) is 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide is NNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1.
What is the InChIKey of 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide?
The InChIKey is YTTMFVVKMWEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(20)19-17)21-10-4-2-1-3-5-10/h1-8,18H,17H2,(H,19,20).
What are the key properties of 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide?
5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide has a molecular weight of 317.80 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenylsulfanyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 506858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).