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

C24H26N2O3S — CID 18188737

IUPAC[1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCN(CC)c1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C24H26N2O3S/c1-3-26(4-2)21-11-8-12-22-23(21)19-14-13-17(16-30(25,27)28)15-20(19)24(29-22)18-9-6-5-7-10-18/h5-15,24H,3-4,16H2,1-2H3,(H2,25,27,28)
InChIKeyWWRWZAYCJRHHPX-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.47
Rot. Bonds6

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

[1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188737) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188737
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name[1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCN(CC)c1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C24H26N2O3S/c1-3-26(4-2)21-11-8-12-22-23(21)19-14-13-17(16-30(25,27)28)15-20(19)24(29-22)18-9-6-5-7-10-18/h5-15,24H,3-4,16H2,1-2H3,(H2,25,27,28)
InChIKeyWWRWZAYCJRHHPX-UHFFFAOYSA-N
XLogP4.47
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188737) is [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is CCN(CC)c1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2.
What is the InChIKey of [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is WWRWZAYCJRHHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-3-26(4-2)21-11-8-12-22-23(21)19-14-13-17(16-30(25,27)28)15-20(19)24(29-22)18-9-6-5-7-10-18/h5-15,24H,3-4,16H2,1-2H3,(H2,25,27,28).
What are the key properties of [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).