5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide

C9H12N4O4S — CID 71635717

IUPAC5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC2CCNC2)nc1
InChIInChI=1S/C9H12N4O4S/c14-13(15)8-1-2-9(11-6-8)18(16,17)12-7-3-4-10-5-7/h1-2,6-7,10,12H,3-5H2
InChIKeyKRZFDGLIDPHKAJ-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.37
Rot. Bonds4

About 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide

5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide (PubChem CID 71635717) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
PubChem CID71635717
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC Name5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC2CCNC2)nc1
InChIInChI=1S/C9H12N4O4S/c14-13(15)8-1-2-9(11-6-8)18(16,17)12-7-3-4-10-5-7/h1-2,6-7,10,12H,3-5H2
InChIKeyKRZFDGLIDPHKAJ-UHFFFAOYSA-N
XLogP-0.37
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 71635724
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62380980
2-chloro-5-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685707
1-(4-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119967259
4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119967031
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
4-nitro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119967030
6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
CID 104982564
2,4-dichloro-3-nitro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 104861916
1-(4-nitrophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120723708
4-hydroxy-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686161

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide?
The IUPAC name of 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide (CID 71635717) is 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide.
What is the SMILES notation for 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide?
The canonical SMILES for 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCNC2)nc1.
What is the InChIKey of 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide?
The InChIKey is KRZFDGLIDPHKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c14-13(15)8-1-2-9(11-6-8)18(16,17)12-7-3-4-10-5-7/h1-2,6-7,10,12H,3-5H2.
What are the key properties of 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide?
5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide is sourced from PubChem (CID 71635717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).