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

C16H16N4O4S — CID 25093425

IUPAC2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide
SMILESCOc1cccc(-c2c(C(=O)NN)[nH]c3ccc(S(N)(=O)=O)cc23)c1
InChIInChI=1S/C16H16N4O4S/c1-24-10-4-2-3-9(7-10)14-12-8-11(25(18,22)23)5-6-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyXMVMNUZFCYFGLW-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.09
Rot. Bonds4

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

2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide (PubChem CID 25093425) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide
PubChem CID25093425
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide
SMILESCOc1cccc(-c2c(C(=O)NN)[nH]c3ccc(S(N)(=O)=O)cc23)c1
InChIInChI=1S/C16H16N4O4S/c1-24-10-4-2-3-9(7-10)14-12-8-11(25(18,22)23)5-6-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyXMVMNUZFCYFGLW-UHFFFAOYSA-N
XLogP1.09
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(3-methoxyphenyl)-1H-indole-5-sulfonamide?
The IUPAC name of 2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide (CID 25093425) is 2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide is COc1cccc(-c2c(C(=O)NN)[nH]c3ccc(S(N)(=O)=O)cc23)c1.
What is the InChIKey of 2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide?
The InChIKey is XMVMNUZFCYFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-24-10-4-2-3-9(7-10)14-12-8-11(25(18,22)23)5-6-13(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-(3-methoxyphenyl)-1H-indole-5-sulfonamide?
2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide has a molecular weight of 360.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 25093425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).