3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide

C15H12ClN3O3S — CID 506880

IUPAC3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(20)19-17)23(21,22)10-4-2-1-3-5-10/h1-8,18H,17H2,(H,19,20)
InChIKeyAHYSABJOPKIPCK-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.26
Rot. Bonds3

About 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide

3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide (PubChem CID 506880) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide
PubChem CID506880
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(20)19-17)23(21,22)10-4-2-1-3-5-10/h1-8,18H,17H2,(H,19,20)
InChIKeyAHYSABJOPKIPCK-UHFFFAOYSA-N
XLogP2.26
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide?
The IUPAC name of 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide (CID 506880) is 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide.
What is the SMILES notation for 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide?
The canonical SMILES for 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide is NNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide?
The InChIKey is AHYSABJOPKIPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(20)19-17)23(21,22)10-4-2-1-3-5-10/h1-8,18H,17H2,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide?
3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide has a molecular weight of 349.80 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-chloro-1H-indole-2-carbohydrazide is sourced from PubChem (CID 506880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).