N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide

C14H13N3O5S — CID 808014

IUPACN'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O5S/c18-14(10-11-6-2-1-3-7-11)15-16-23(21,22)13-9-5-4-8-12(13)17(19)20/h1-9,16H,10H2,(H,15,18)
InChIKeyHWBRRRNANVWIFB-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.15
Rot. Bonds6

About N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide

N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide (PubChem CID 808014) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide
PubChem CID808014
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O5S/c18-14(10-11-6-2-1-3-7-11)15-16-23(21,22)13-9-5-4-8-12(13)17(19)20/h1-9,16H,10H2,(H,15,18)
InChIKeyHWBRRRNANVWIFB-UHFFFAOYSA-N
XLogP1.15
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide?
The IUPAC name of N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide (CID 808014) is N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide.
What is the SMILES notation for N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide?
The canonical SMILES for N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide is O=C(Cc1ccccc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide?
The InChIKey is HWBRRRNANVWIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c18-14(10-11-6-2-1-3-7-11)15-16-23(21,22)13-9-5-4-8-12(13)17(19)20/h1-9,16H,10H2,(H,15,18).
What are the key properties of N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide?
N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide has a molecular weight of 335.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitrophenyl)sulfonyl-2-phenylacetohydrazide is sourced from PubChem (CID 808014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).