2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide

C16H16N4O3S — CID 25093413

IUPAC2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide
SMILESCc1ccccc1-c1c(C(=O)NN)[nH]c2ccc(S(N)(=O)=O)cc12
InChIInChI=1S/C16H16N4O3S/c1-9-4-2-3-5-11(9)14-12-8-10(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyPPSRAFWOBCBARB-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.39
Rot. Bonds3

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

2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide (PubChem CID 25093413) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide
PubChem CID25093413
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide
SMILESCc1ccccc1-c1c(C(=O)NN)[nH]c2ccc(S(N)(=O)=O)cc12
InChIInChI=1S/C16H16N4O3S/c1-9-4-2-3-5-11(9)14-12-8-10(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyPPSRAFWOBCBARB-UHFFFAOYSA-N
XLogP1.39
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.39
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 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide?
The IUPAC name of 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide (CID 25093413) is 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide is Cc1ccccc1-c1c(C(=O)NN)[nH]c2ccc(S(N)(=O)=O)cc12.
What is the InChIKey of 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide?
The InChIKey is PPSRAFWOBCBARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-9-4-2-3-5-11(9)14-12-8-10(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide?
2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.39, 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-methylphenyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 25093413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).