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

C15H13N3O3S — CID 506879

IUPAC3-(benzenesulfonyl)-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c16-18-15(19)13-14(11-8-4-5-9-12(11)17-13)22(20,21)10-6-2-1-3-7-10/h1-9,17H,16H2,(H,18,19)
InChIKeyLCJUKYVHSZUBCO-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.60
Rot. Bonds3

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

3-(benzenesulfonyl)-1H-indole-2-carbohydrazide (PubChem CID 506879) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1H-indole-2-carbohydrazide
PubChem CID506879
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-(benzenesulfonyl)-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c16-18-15(19)13-14(11-8-4-5-9-12(11)17-13)22(20,21)10-6-2-1-3-7-10/h1-9,17H,16H2,(H,18,19)
InChIKeyLCJUKYVHSZUBCO-UHFFFAOYSA-N
XLogP1.60
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.60
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)-1H-indole-2-carbohydrazide?
The IUPAC name of 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide (CID 506879) is 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide is NNC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide?
The InChIKey is LCJUKYVHSZUBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-18-15(19)13-14(11-8-4-5-9-12(11)17-13)22(20,21)10-6-2-1-3-7-10/h1-9,17H,16H2,(H,18,19).
What are the key properties of 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide?
3-(benzenesulfonyl)-1H-indole-2-carbohydrazide has a molecular weight of 315.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 506879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).