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

C22H21NO4S — CID 18189177

IUPAC[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccc(C)cc1)O2
InChIInChI=1S/C22H21NO4S/c1-14-6-9-16(10-7-14)22-18-12-15(13-28(23,24)25)8-11-17(18)21-19(26-2)4-3-5-20(21)27-22/h3-12,22H,13H2,1-2H3,(H2,23,24,25)
InChIKeyPIHCEIGVDQHDGT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.94
Rot. Bonds4

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

[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18189177) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18189177
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccc(C)cc1)O2
InChIInChI=1S/C22H21NO4S/c1-14-6-9-16(10-7-14)22-18-12-15(13-28(23,24)25)8-11-17(18)21-19(26-2)4-3-5-20(21)27-22/h3-12,22H,13H2,1-2H3,(H2,23,24,25)
InChIKeyPIHCEIGVDQHDGT-UHFFFAOYSA-N
XLogP3.94
TPSA78.62 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18189177) is [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccc(C)cc1)O2.
What is the InChIKey of [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is PIHCEIGVDQHDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-14-6-9-16(10-7-14)22-18-12-15(13-28(23,24)25)8-11-17(18)21-19(26-2)4-3-5-20(21)27-22/h3-12,22H,13H2,1-2H3,(H2,23,24,25).
What are the key properties of [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18189177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).