2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide

C14H13N5O6S — CID 3685220

IUPAC2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide
SMILESO=C(NNc1ccccc1)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N5O6S/c20-13(16-15-10-4-2-1-3-5-10)14(21)17-18-26(24,25)12-8-6-11(7-9-12)19(22)23/h1-9,15,18H,(H,16,20)(H,17,21)
InChIKeyOGUYYNMJKZJTBA-UHFFFAOYSA-N
MW379.35 g/mol
LogP0.05
Rot. Bonds6

About 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide

2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide (PubChem CID 3685220) has the molecular formula C14H13N5O6S and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide.

Molecular Properties

Compound Name2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide
PubChem CID3685220
Molecular FormulaC14H13N5O6S
Molecular Weight379.35 g/mol
Exact Mass379.06
IUPAC Name2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide
SMILESO=C(NNc1ccccc1)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N5O6S/c20-13(16-15-10-4-2-1-3-5-10)14(21)17-18-26(24,25)12-8-6-11(7-9-12)19(22)23/h1-9,15,18H,(H,16,20)(H,17,21)
InChIKeyOGUYYNMJKZJTBA-UHFFFAOYSA-N
XLogP0.05
TPSA159.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide?
The IUPAC name of 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide (CID 3685220) is 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide.
What is the SMILES notation for 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide?
The canonical SMILES for 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide is O=C(NNc1ccccc1)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide?
The InChIKey is OGUYYNMJKZJTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O6S/c20-13(16-15-10-4-2-1-3-5-10)14(21)17-18-26(24,25)12-8-6-11(7-9-12)19(22)23/h1-9,15,18H,(H,16,20)(H,17,21).
What are the key properties of 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide?
2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide has a molecular weight of 379.35 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(4-nitrophenyl)sulfonyl-1-N'-phenylethanedihydrazide is sourced from PubChem (CID 3685220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).