3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide

C15H13FN4O3S — CID 25093418

IUPAC3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
SMILESNNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
InChIKeyRKJALVWPURNLMT-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.22
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide

3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide (PubChem CID 25093418) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
PubChem CID25093418
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
SMILESNNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
InChIKeyRKJALVWPURNLMT-UHFFFAOYSA-N
XLogP1.22
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.22
H-Bond Donors ≤ 54
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-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide (CID 25093418) is 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide is NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
The InChIKey is RKJALVWPURNLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23).
What are the key properties of 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide has a molecular weight of 348.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 25093418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).