4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide

C21H16N2O4S — CID 174365455

IUPAC4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccncc3)C(C=O)c3ccccc3O2)cc1
InChIInChI=1S/C21H16N2O4S/c22-28(25,26)16-7-5-15(6-8-16)21-20(14-9-11-23-12-10-14)18(13-24)17-3-1-2-4-19(17)27-21/h1-13,18H,(H2,22,25,26)
InChIKeyCEYIGDKKJROTEU-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.97
Rot. Bonds4

About 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide

4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide (PubChem CID 174365455) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide
PubChem CID174365455
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccncc3)C(C=O)c3ccccc3O2)cc1
InChIInChI=1S/C21H16N2O4S/c22-28(25,26)16-7-5-15(6-8-16)21-20(14-9-11-23-12-10-14)18(13-24)17-3-1-2-4-19(17)27-21/h1-13,18H,(H2,22,25,26)
InChIKeyCEYIGDKKJROTEU-UHFFFAOYSA-N
XLogP2.97
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-chlorophenyl)-4-formyl-4H-chromen-2-yl]benzenesulfonamide
CID 174374747
4-[3-[2-(aminomethyl)phenyl]-4-formyl-4H-chromen-2-yl]benzenesulfonamide
CID 174363991
4-(7-fluoro-4-methanethioyl-3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
CID 174363990
[4-[3-(4-fluorophenyl)-4-formyl-4H-chromen-2-yl]phenyl]methanesulfinic acid
CID 174376185
[4-(4-formyl-3-naphthalen-1-yl-4H-chromen-2-yl)phenyl]methanesulfinate
CID 174364548
[4-[3-(2-fluorophenyl)-4-formyl-4H-chromen-2-yl]phenyl]methanesulfinate
CID 174364550
[4-[3-(3-fluorophenyl)-4-formyl-4H-chromen-2-yl]phenyl]methanesulfinate
CID 174375895
4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
CID 152578975
2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde
CID 174678056
2-(1-bromoethyl)-3-phenyl-4H-chromene-4-carbaldehyde
CID 174665847
4-hydroxy-9H-xanthene-9-carbaldehyde
CID 174562050
[4-(3-bromo-4-formyl-4H-chromen-2-yl)phenyl]methanesulfinate
CID 174365450

Frequently Asked Questions

What is the IUPAC name of 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide (CID 174365455) is 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccncc3)C(C=O)c3ccccc3O2)cc1.
What is the InChIKey of 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
The InChIKey is CEYIGDKKJROTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c22-28(25,26)16-7-5-15(6-8-16)21-20(14-9-11-23-12-10-14)18(13-24)17-3-1-2-4-19(17)27-21/h1-13,18H,(H2,22,25,26).
What are the key properties of 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide is sourced from PubChem (CID 174365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).