2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide

C15H9F5N4O3S — CID 25093426

IUPAC2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide
SMILESNNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H9F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,23H,21H2,(H,24,25)(H2,22,26,27)
InChIKeyAWDKBDAWOHYQRV-UHFFFAOYSA-N
MW420.32 g/mol
LogP1.78
Rot. Bonds3

About 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide

2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide (PubChem CID 25093426) has the molecular formula C15H9F5N4O3S and a molecular weight of 420.32 g/mol. Its IUPAC name is 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide
PubChem CID25093426
Molecular FormulaC15H9F5N4O3S
Molecular Weight420.32 g/mol
Exact Mass420.03
IUPAC Name2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide
SMILESNNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H9F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,23H,21H2,(H,24,25)(H2,22,26,27)
InChIKeyAWDKBDAWOHYQRV-UHFFFAOYSA-N
XLogP1.78
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide?
The IUPAC name of 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide (CID 25093426) is 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide is NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide?
The InChIKey is AWDKBDAWOHYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,23H,21H2,(H,24,25)(H2,22,26,27).
What are the key properties of 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide?
2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide has a molecular weight of 420.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 25093426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).