N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide

C22H21NO4S — CID 10111302

IUPACN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2
InChIInChI=1S/C22H21NO4S/c1-3-28(24,25)23-16-12-13-17-18(14-16)22(15-8-5-4-6-9-15)27-20-11-7-10-19(26-2)21(17)20/h4-14,22-23H,3H2,1-2H3
InChIKeyDICNYMZQJNKWJH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.61
Rot. Bonds5

About N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide

N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide (PubChem CID 10111302) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide
PubChem CID10111302
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2
InChIInChI=1S/C22H21NO4S/c1-3-28(24,25)23-16-12-13-17-18(14-16)22(15-8-5-4-6-9-15)27-20-11-7-10-19(26-2)21(17)20/h4-14,22-23H,3H2,1-2H3
InChIKeyDICNYMZQJNKWJH-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide?
The IUPAC name of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide (CID 10111302) is N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide?
The canonical SMILES for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC)c1-2.
What is the InChIKey of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide?
The InChIKey is DICNYMZQJNKWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-3-28(24,25)23-16-12-13-17-18(14-16)22(15-8-5-4-6-9-15)27-20-11-7-10-19(26-2)21(17)20/h4-14,22-23H,3H2,1-2H3.
What are the key properties of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide?
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanesulfonamide is sourced from PubChem (CID 10111302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).