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

C18H16ClF2NO4S — CID 18188656

IUPAC[2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2ccc(Cl)c(OC(F)F)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C18H16ClF2NO4S/c1-2-3-14-12-8-10(9-27(22,23)24)4-5-11(12)16-15(25-14)7-6-13(19)17(16)26-18(20)21/h2,4-8,14,18H,1,3,9H2,(H2,22,23,24)
InChIKeyJBSVRSJKWFUZNT-UHFFFAOYSA-N
MW415.85 g/mol
LogP4.41
Rot. Bonds6

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

[2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188656) has the molecular formula C18H16ClF2NO4S and a molecular weight of 415.85 g/mol. Its IUPAC name is [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188656
Molecular FormulaC18H16ClF2NO4S
Molecular Weight415.85 g/mol
Exact Mass415.05
IUPAC Name[2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCC1Oc2ccc(Cl)c(OC(F)F)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C18H16ClF2NO4S/c1-2-3-14-12-8-10(9-27(22,23)24)4-5-11(12)16-15(25-14)7-6-13(19)17(16)26-18(20)21/h2,4-8,14,18H,1,3,9H2,(H2,22,23,24)
InChIKeyJBSVRSJKWFUZNT-UHFFFAOYSA-N
XLogP4.41
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188656) is [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCC1Oc2ccc(Cl)c(OC(F)F)c2-c2ccc(CS(N)(=O)=O)cc21.
What is the InChIKey of [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is JBSVRSJKWFUZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO4S/c1-2-3-14-12-8-10(9-27(22,23)24)4-5-11(12)16-15(25-14)7-6-13(19)17(16)26-18(20)21/h2,4-8,14,18H,1,3,9H2,(H2,22,23,24).
What are the key properties of [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 415.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).