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

C19H22N2O3S — CID 18188677

IUPAC[1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2cccc(N(C)C)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C19H22N2O3S/c1-4-6-17-15-11-13(12-25(20,22)23)9-10-14(15)19-16(21(2)3)7-5-8-18(19)24-17/h4-5,7-11,17H,1,6,12H2,2-3H3,(H2,20,22,23)
InChIKeyFFTYXTPHAFXLFR-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.22
Rot. Bonds5

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

[1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188677) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188677
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2cccc(N(C)C)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C19H22N2O3S/c1-4-6-17-15-11-13(12-25(20,22)23)9-10-14(15)19-16(21(2)3)7-5-8-18(19)24-17/h4-5,7-11,17H,1,6,12H2,2-3H3,(H2,20,22,23)
InChIKeyFFTYXTPHAFXLFR-UHFFFAOYSA-N
XLogP3.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.22
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-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188677) is [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCC1Oc2cccc(N(C)C)c2-c2ccc(CS(N)(=O)=O)cc21.
What is the InChIKey of [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is FFTYXTPHAFXLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-6-17-15-11-13(12-25(20,22)23)9-10-14(15)19-16(21(2)3)7-5-8-18(19)24-17/h4-5,7-11,17H,1,6,12H2,2-3H3,(H2,20,22,23).
What are the key properties of [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).