5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide

C10H15N5O5S — CID 83018411

IUPAC5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C10H15N5O5S/c11-12-8-1-2-9(15(16)17)10(7-8)21(18,19)13-14-3-5-20-6-4-14/h1-2,7,12-13H,3-6,11H2
InChIKeyUAESRTANULQTAM-UHFFFAOYSA-N
MW317.33 g/mol
LogP-0.59
Rot. Bonds5

About 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide

5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide (PubChem CID 83018411) has the molecular formula C10H15N5O5S and a molecular weight of 317.33 g/mol. Its IUPAC name is 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
PubChem CID83018411
Molecular FormulaC10H15N5O5S
Molecular Weight317.33 g/mol
Exact Mass317.08
IUPAC Name5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C10H15N5O5S/c11-12-8-1-2-9(15(16)17)10(7-8)21(18,19)13-14-3-5-20-6-4-14/h1-2,7,12-13H,3-6,11H2
InChIKeyUAESRTANULQTAM-UHFFFAOYSA-N
XLogP-0.59
TPSA139.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide?
The IUPAC name of 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide (CID 83018411) is 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide is NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NN2CCOCC2)c1.
What is the InChIKey of 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide?
The InChIKey is UAESRTANULQTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O5S/c11-12-8-1-2-9(15(16)17)10(7-8)21(18,19)13-14-3-5-20-6-4-14/h1-2,7,12-13H,3-6,11H2.
What are the key properties of 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide?
5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide has a molecular weight of 317.33 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 83018411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).