N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C22H21NO4S — CID 10222329

IUPACN-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(C)cc1)O2
InChIInChI=1S/C22H21NO4S/c1-14-7-9-15(10-8-14)22-18-13-16(23-28(3,24)25)11-12-17(18)21-19(26-2)5-4-6-20(21)27-22/h4-13,22-23H,1-3H3
InChIKeyPCEQNBCVZPRGRR-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.52
Rot. Bonds4

About N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10222329) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10222329
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(C)cc1)O2
InChIInChI=1S/C22H21NO4S/c1-14-7-9-15(10-8-14)22-18-13-16(23-28(3,24)25)11-12-17(18)21-19(26-2)5-4-6-20(21)27-22/h4-13,22-23H,1-3H3
InChIKeyPCEQNBCVZPRGRR-UHFFFAOYSA-N
XLogP4.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.52
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-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10222329) is N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(C)cc1)O2.
What is the InChIKey of N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is PCEQNBCVZPRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-14-7-9-15(10-8-14)22-18-13-16(23-28(3,24)25)11-12-17(18)21-19(26-2)5-4-6-20(21)27-22/h4-13,22-23H,1-3H3.
What are the key properties of N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10222329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).