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

C22H19NO4S — CID 18504127

IUPAC(1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCC(=O)c1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C22H19NO4S/c1-14(24)17-8-5-9-20-21(17)18-11-10-15(13-28(23,25)26)12-19(18)22(27-20)16-6-3-2-4-7-16/h2-12,22H,13H2,1H3,(H2,23,25,26)
InChIKeyDAKSCDPZSLGMBW-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.83
Rot. Bonds4

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

(1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 18504127) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID18504127
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name(1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCC(=O)c1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C22H19NO4S/c1-14(24)17-8-5-9-20-21(17)18-11-10-15(13-28(23,25)26)12-19(18)22(27-20)16-6-3-2-4-7-16/h2-12,22H,13H2,1H3,(H2,23,25,26)
InChIKeyDAKSCDPZSLGMBW-UHFFFAOYSA-N
XLogP3.83
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 18504127) is (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is CC(=O)c1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2.
What is the InChIKey of (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is DAKSCDPZSLGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-14(24)17-8-5-9-20-21(17)18-11-10-15(13-28(23,25)26)12-19(18)22(27-20)16-6-3-2-4-7-16/h2-12,22H,13H2,1H3,(H2,23,25,26).
What are the key properties of (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
(1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 393.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 18504127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).