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

C18H17F2NO4S — CID 18188628

IUPACdifluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCC1Oc2ccccc2-c2ccc(C(OC(F)F)S(N)(=O)=O)cc21
InChIInChI=1S/C18H17F2NO4S/c1-2-5-15-14-10-11(17(25-18(19)20)26(21,22)23)8-9-12(14)13-6-3-4-7-16(13)24-15/h2-4,6-10,15,17-18H,1,5H2,(H2,21,22,23)
InChIKeyHBMUBQVBNDHFSM-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.89
Rot. Bonds6

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

difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 18188628) has the molecular formula C18H17F2NO4S and a molecular weight of 381.40 g/mol. Its IUPAC name is difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound Namedifluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID18188628
Molecular FormulaC18H17F2NO4S
Molecular Weight381.40 g/mol
Exact Mass381.08
IUPAC Namedifluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCC1Oc2ccccc2-c2ccc(C(OC(F)F)S(N)(=O)=O)cc21
InChIInChI=1S/C18H17F2NO4S/c1-2-5-15-14-10-11(17(25-18(19)20)26(21,22)23)8-9-12(14)13-6-3-4-7-16(13)24-15/h2-4,6-10,15,17-18H,1,5H2,(H2,21,22,23)
InChIKeyHBMUBQVBNDHFSM-UHFFFAOYSA-N
XLogP3.89
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.89
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 difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 18188628) is difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is C=CCC1Oc2ccccc2-c2ccc(C(OC(F)F)S(N)(=O)=O)cc21.
What is the InChIKey of difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is HBMUBQVBNDHFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4S/c1-2-5-15-14-10-11(17(25-18(19)20)26(21,22)23)8-9-12(14)13-6-3-4-7-16(13)24-15/h2-4,6-10,15,17-18H,1,5H2,(H2,21,22,23).
What are the key properties of difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 381.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethoxy-(6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 18188628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).