N-cyclopropyl-3-nitropyridine-2-sulfonamide

C8H9N3O4S — CID 71650427

IUPACN-cyclopropyl-3-nitropyridine-2-sulfonamide
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC1
InChIInChI=1S/C8H9N3O4S/c12-11(13)7-2-1-5-9-8(7)16(14,15)10-6-3-4-6/h1-2,5-6,10H,3-4H2
InChIKeyBDIWCWLLFCIVEP-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.43
Rot. Bonds4

About N-cyclopropyl-3-nitropyridine-2-sulfonamide

N-cyclopropyl-3-nitropyridine-2-sulfonamide (PubChem CID 71650427) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is N-cyclopropyl-3-nitropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-nitropyridine-2-sulfonamide
PubChem CID71650427
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC NameN-cyclopropyl-3-nitropyridine-2-sulfonamide
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC1
InChIInChI=1S/C8H9N3O4S/c12-11(13)7-2-1-5-9-8(7)16(14,15)10-6-3-4-6/h1-2,5-6,10H,3-4H2
InChIKeyBDIWCWLLFCIVEP-UHFFFAOYSA-N
XLogP0.43
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
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-cyclopropyl-3-nitropyridine-2-sulfonamide?
The IUPAC name of N-cyclopropyl-3-nitropyridine-2-sulfonamide (CID 71650427) is N-cyclopropyl-3-nitropyridine-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-nitropyridine-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-nitropyridine-2-sulfonamide is O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-nitropyridine-2-sulfonamide?
The InChIKey is BDIWCWLLFCIVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-11(13)7-2-1-5-9-8(7)16(14,15)10-6-3-4-6/h1-2,5-6,10H,3-4H2.
What are the key properties of N-cyclopropyl-3-nitropyridine-2-sulfonamide?
N-cyclopropyl-3-nitropyridine-2-sulfonamide has a molecular weight of 243.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-nitropyridine-2-sulfonamide is sourced from PubChem (CID 71650427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).