2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide

C19H16N4O5S — CID 23876415

IUPAC2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide
SMILESO=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-15-6-5-11-20-13-15)14-22(16-7-4-8-17(12-16)23(25)26)29(27,28)18-9-2-1-3-10-18/h1-13H,14H2,(H,21,24)
InChIKeyRFYJTHZRLRJUQF-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.82
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide

2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide (PubChem CID 23876415) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide
PubChem CID23876415
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide
SMILESO=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-15-6-5-11-20-13-15)14-22(16-7-4-8-17(12-16)23(25)26)29(27,28)18-9-2-1-3-10-18/h1-13H,14H2,(H,21,24)
InChIKeyRFYJTHZRLRJUQF-UHFFFAOYSA-N
XLogP2.82
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.82
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

2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide
CID 1306878
2-(N-methylsulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide
CID 1309445
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1298495
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-methylacetamide
CID 846747
2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-(4-phenoxyphenyl)acetamide
CID 141328819
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43877099
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-dimethylphenyl)acetamide
CID 1118122
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(3-nitrophenyl)acetamide
CID 126035131
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1118184
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-difluorophenyl)acetamide
CID 1317979
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(3-nitrophenyl)acetamide
CID 1252853
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43909462

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide (CID 23876415) is 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide is O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccnc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide?
The InChIKey is RFYJTHZRLRJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c24-19(21-15-6-5-11-20-13-15)14-22(16-7-4-8-17(12-16)23(25)26)29(27,28)18-9-2-1-3-10-18/h1-13H,14H2,(H,21,24).
What are the key properties of 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide?
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide has a molecular weight of 412.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 23876415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).