(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine

C11H16N4O4S — CID 16775038

IUPAC(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
SMILESNNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4S/c12-13-10-5-4-9(8-11(10)15(16)17)20(18,19)14-6-2-1-3-7-14/h4-5,8,13H,1-3,6-7,12H2
InChIKeySERNNKHQGAMQAP-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.05
Rot. Bonds4

About (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine

(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine (PubChem CID 16775038) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine.

Molecular Properties

Compound Name(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
PubChem CID16775038
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
SMILESNNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4S/c12-13-10-5-4-9(8-11(10)15(16)17)20(18,19)14-6-2-1-3-7-14/h4-5,8,13H,1-3,6-7,12H2
InChIKeySERNNKHQGAMQAP-UHFFFAOYSA-N
XLogP1.05
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
CID 9311427
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
N-(2-methylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 9281950
4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
CID 9282828
4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitroaniline
CID 16959579
4-(azepan-1-ylsulfonyl)-N-(1-methylsulfanylpropan-2-yl)-2-nitroaniline
CID 133311861
N-[(1S)-1-cyclopropylethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 9026150
[1-(4-hydrazinyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409771
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 26441981
2-nitro-N-phenylmethoxy-4-piperidin-1-ylsulfonylaniline
CID 9108911
2-[4-(2-nitro-4-piperidin-1-ylsulfonylanilino)phenyl]acetamide
CID 46405187

Frequently Asked Questions

What is the IUPAC name of (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine?
The IUPAC name of (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine (CID 16775038) is (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine.
What is the SMILES notation for (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine?
The canonical SMILES for (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine is NNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine?
The InChIKey is SERNNKHQGAMQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c12-13-10-5-4-9(8-11(10)15(16)17)20(18,19)14-6-2-1-3-7-14/h4-5,8,13H,1-3,6-7,12H2.
What are the key properties of (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine?
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine has a molecular weight of 300.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine is sourced from PubChem (CID 16775038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).