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

C20H16N2O3S — CID 152578975

IUPAC4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cccnc3)Cc3ccccc3O2)cc1
InChIInChI=1S/C20H16N2O3S/c21-26(23,24)17-9-7-14(8-10-17)20-18(16-5-3-11-22-13-16)12-15-4-1-2-6-19(15)25-20/h1-11,13H,12H2,(H2,21,23,24)
InChIKeyYTBTUNBYGBBIMO-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.23
Rot. Bonds3

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

4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide (PubChem CID 152578975) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
PubChem CID152578975
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cccnc3)Cc3ccccc3O2)cc1
InChIInChI=1S/C20H16N2O3S/c21-26(23,24)17-9-7-14(8-10-17)20-18(16-5-3-11-22-13-16)12-15-4-1-2-6-19(15)25-20/h1-11,13H,12H2,(H2,21,23,24)
InChIKeyYTBTUNBYGBBIMO-UHFFFAOYSA-N
XLogP3.23
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide (CID 152578975) is 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3cccnc3)Cc3ccccc3O2)cc1.
What is the InChIKey of 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide?
The InChIKey is YTBTUNBYGBBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c21-26(23,24)17-9-7-14(8-10-17)20-18(16-5-3-11-22-13-16)12-15-4-1-2-6-19(15)25-20/h1-11,13H,12H2,(H2,21,23,24).
What are the key properties of 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide?
4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide is sourced from PubChem (CID 152578975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).