N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

C23H21NO4S — CID 10223102

IUPACN-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(/C=C/c1ccccc1)O2
InChIInChI=1S/C23H21NO4S/c1-27-21-9-6-10-22-23(21)18-13-12-17(24-29(2,25)26)15-19(18)20(28-22)14-11-16-7-4-3-5-8-16/h3-15,20,24H,1-2H3/b14-11+
InChIKeyLNZLXRLCVSYSPA-SDNWHVSQSA-N
MW407.49 g/mol
LogP4.88
Rot. Bonds5

About N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10223102) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10223102
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(/C=C/c1ccccc1)O2
InChIInChI=1S/C23H21NO4S/c1-27-21-9-6-10-22-23(21)18-13-12-17(24-29(2,25)26)15-19(18)20(28-22)14-11-16-7-4-3-5-8-16/h3-15,20,24H,1-2H3/b14-11+
InChIKeyLNZLXRLCVSYSPA-SDNWHVSQSA-N
XLogP4.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.88
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-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10223102) is N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(/C=C/c1ccccc1)O2.
What is the InChIKey of N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is LNZLXRLCVSYSPA-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-27-21-9-6-10-22-23(21)18-13-12-17(24-29(2,25)26)15-19(18)20(28-22)14-11-16-7-4-3-5-8-16/h3-15,20,24H,1-2H3/b14-11+.
What are the key properties of N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 4.88, 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-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10223102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).