3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide

C8H11N3O5S — CID 138585557

IUPAC3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H11N3O5S/c9-17(15,16)6-2-5-10-4-1-3-7(8(10)12)11(13)14/h1,3-4H,2,5-6H2,(H2,9,15,16)
InChIKeyYFWOJTDKSZNZME-UHFFFAOYSA-N
MW261.26 g/mol
LogP-0.56
Rot. Bonds5

About 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide

3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide (PubChem CID 138585557) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide
PubChem CID138585557
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H11N3O5S/c9-17(15,16)6-2-5-10-4-1-3-7(8(10)12)11(13)14/h1,3-4H,2,5-6H2,(H2,9,15,16)
InChIKeyYFWOJTDKSZNZME-UHFFFAOYSA-N
XLogP-0.56
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
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

3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide
CID 138585348
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
CID 62100471
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
1-[2-(aminomethyl)prop-2-enyl]-3-nitropyridin-2-one
CID 103072256
1-[(6-amino-2-pyridinyl)methyl]-3-nitropyridin-2-one
CID 79230769
2-(2-nitroanilino)ethanesulfonamide
CID 43552409
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
methyl 4-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]benzoate
CID 71972031
1-[(2-chloro-5-nitrophenyl)methyl]-3-nitropyridin-2-one
CID 62101627
1-(3-methylsulfonylpropyl)-7-nitroindole
CID 115874242
4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoic acid
CID 76940851

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide (CID 138585557) is 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide is NS(=O)(=O)CCCn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide?
The InChIKey is YFWOJTDKSZNZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c9-17(15,16)6-2-5-10-4-1-3-7(8(10)12)11(13)14/h1,3-4H,2,5-6H2,(H2,9,15,16).
What are the key properties of 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide?
3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide has a molecular weight of 261.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 138585557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).