[1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H26N2O3S — CID 18188803

IUPAC[1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2cccc(N(CC)CC)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C21H26N2O3S/c1-4-8-19-17-13-15(14-27(22,24)25)11-12-16(17)21-18(23(5-2)6-3)9-7-10-20(21)26-19/h4,7,9-13,19H,1,5-6,8,14H2,2-3H3,(H2,22,24,25)
InChIKeyOTMCTLBZUQJAME-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.00
Rot. Bonds7

About [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

[1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188803) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188803
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name[1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2cccc(N(CC)CC)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C21H26N2O3S/c1-4-8-19-17-13-15(14-27(22,24)25)11-12-16(17)21-18(23(5-2)6-3)9-7-10-20(21)26-19/h4,7,9-13,19H,1,5-6,8,14H2,2-3H3,(H2,22,24,25)
InChIKeyOTMCTLBZUQJAME-UHFFFAOYSA-N
XLogP4.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188803) is [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCC1Oc2cccc(N(CC)CC)c2-c2ccc(CS(N)(=O)=O)cc21.
What is the InChIKey of [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is OTMCTLBZUQJAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-8-19-17-13-15(14-27(22,24)25)11-12-16(17)21-18(23(5-2)6-3)9-7-10-20(21)26-19/h4,7,9-13,19H,1,5-6,8,14H2,2-3H3,(H2,22,24,25).
What are the key properties of [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).