2-amino-5-nitro-N-pentylpyridine-4-sulfonamide

C10H16N4O4S — CID 67636553

IUPAC2-amino-5-nitro-N-pentylpyridine-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4S/c1-2-3-4-5-13-19(17,18)9-6-10(11)12-7-8(9)14(15)16/h6-7,13H,2-5H2,1H3,(H2,11,12)
InChIKeyVZIROVOZRMIJTD-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.04
Rot. Bonds7

About 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide

2-amino-5-nitro-N-pentylpyridine-4-sulfonamide (PubChem CID 67636553) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-pentylpyridine-4-sulfonamide
PubChem CID67636553
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name2-amino-5-nitro-N-pentylpyridine-4-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4S/c1-2-3-4-5-13-19(17,18)9-6-10(11)12-7-8(9)14(15)16/h6-7,13H,2-5H2,1H3,(H2,11,12)
InChIKeyVZIROVOZRMIJTD-UHFFFAOYSA-N
XLogP1.04
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

5-(methylamino)-2-nitro-N-pentylbenzenesulfonamide
CID 62162640
5-nitro-4-pentylpyridin-2-amine
CID 67635869
4-chloro-N-hexyl-2-methyl-5-nitrobenzenesulfonamide
CID 81041576
2-methyl-6-nitro-N-pentylbenzenesulfonamide
CID 47034876
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
N-hexyl-2-methyl-4-nitrobenzenesulfonamide
CID 37477665
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
4-(dipropylamino)-3,5-dinitro-N-pentylbenzenesulfonamide
CID 11774373
N-butyl-4-methyl-3-nitrobenzenesulfonamide
CID 2836737
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide?
The IUPAC name of 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide (CID 67636553) is 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide?
The canonical SMILES for 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide is CCCCCNS(=O)(=O)c1cc(N)ncc1[N+](=O)[O-].
What is the InChIKey of 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide?
The InChIKey is VZIROVOZRMIJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-2-3-4-5-13-19(17,18)9-6-10(11)12-7-8(9)14(15)16/h6-7,13H,2-5H2,1H3,(H2,11,12).
What are the key properties of 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide?
2-amino-5-nitro-N-pentylpyridine-4-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-pentylpyridine-4-sulfonamide is sourced from PubChem (CID 67636553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).