1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine

C17H16N2O4S — CID 101053011

IUPAC1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)C2)cc1
InChIInChI=1S/C17H16N2O4S/c20-19(21)16-8-10-17(11-9-16)24(22,23)18-12-4-7-15(13-18)14-5-2-1-3-6-14/h1-3,5-11H,4,12-13H2
InChIKeyRVBCDSAMOMUTFE-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine

1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 101053011) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine
PubChem CID101053011
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)C2)cc1
InChIInChI=1S/C17H16N2O4S/c20-19(21)16-8-10-17(11-9-16)24(22,23)18-12-4-7-15(13-18)14-5-2-1-3-6-14/h1-3,5-11H,4,12-13H2
InChIKeyRVBCDSAMOMUTFE-UHFFFAOYSA-N
XLogP3.07
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324632
1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]
CID 10361799
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 19684923
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469234
N-benzyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide
CID 1246654
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 4314377
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
(1S,5R)-3-(4-nitrophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 99779560
methylidene-(4-nitrophenyl)-oxo-(4-phenylpiperazin-1-yl)-λ6-sulfane
CID 159485251
1-[(2-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine;oxalic acid
CID 90483801

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine (CID 101053011) is 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is RVBCDSAMOMUTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-19(21)16-8-10-17(11-9-16)24(22,23)18-12-4-7-15(13-18)14-5-2-1-3-6-14/h1-3,5-11H,4,12-13H2.
What are the key properties of 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine?
1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 344.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 101053011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).