N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide

C22H21NO4S — CID 10157532

IUPACN-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C22H21NO4S/c1-3-26-19-10-7-11-20-21(19)17-13-12-16(23-28(2,24)25)14-18(17)22(27-20)15-8-5-4-6-9-15/h4-14,22-23H,3H2,1-2H3
InChIKeyRQUXQDVRWLHMBG-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.61
Rot. Bonds5

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

N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 10157532) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID10157532
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C22H21NO4S/c1-3-26-19-10-7-11-20-21(19)17-13-12-16(23-28(2,24)25)14-18(17)22(27-20)15-8-5-4-6-9-15/h4-14,22-23H,3H2,1-2H3
InChIKeyRQUXQDVRWLHMBG-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-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 10157532) is N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is CCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2.
What is the InChIKey of N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is RQUXQDVRWLHMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-3-26-19-10-7-11-20-21(19)17-13-12-16(23-28(2,24)25)14-18(17)22(27-20)15-8-5-4-6-9-15/h4-14,22-23H,3H2,1-2H3.
What are the key properties of N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
N-(1-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide 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-ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 10157532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).