5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C19H16N2O4S2 — CID 42888748

IUPAC5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-21(23)16-8-4-5-9-18(16)27(24,25)20-12-10-17-15(11-13-26-17)19(20)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2
InChIKeyGKOPWPSUUWULTA-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.99
Rot. Bonds4

About 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 42888748) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID42888748
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC Name5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-21(23)16-8-4-5-9-18(16)27(24,25)20-12-10-17-15(11-13-26-17)19(20)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2
InChIKeyGKOPWPSUUWULTA-UHFFFAOYSA-N
XLogP3.99
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 95933696
(4-chloro-3-nitrophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245771
N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
CID 26540145
1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55508346
(4-methoxy-3-nitrophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245823
(4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 7298517
(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30795922
(2-chloro-5-nitrophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429519
4-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-2-nitrobenzenesulfonamide
CID 166330936
(2-nitrophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576989
(2S)-1-(2-nitrophenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502849
(2-chloro-4-nitrophenyl)-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245809

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 42888748) is 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is GKOPWPSUUWULTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c22-21(23)16-8-4-5-9-18(16)27(24,25)20-12-10-17-15(11-13-26-17)19(20)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2.
What are the key properties of 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 400.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 42888748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).