N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

C25H24F2N2O4S — CID 10140990

IUPACN-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCN(C)c1ccc(C2Oc3cccc(OC(F)F)c3-c3ccc(NS(C)(=O)=O)cc32)cc1
InChIInChI=1S/C25H24F2N2O4S/c1-4-14-29(2)18-11-8-16(9-12-18)24-20-15-17(28-34(3,30)31)10-13-19(20)23-21(32-24)6-5-7-22(23)33-25(26)27/h4-13,15,24-25,28H,1,14H2,2-3H3
InChIKeyRGCBHAIOZQPCKH-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.43
Rot. Bonds8

About N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10140990) has the molecular formula C25H24F2N2O4S and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10140990
Molecular FormulaC25H24F2N2O4S
Molecular Weight486.54 g/mol
Exact Mass486.14
IUPAC NameN-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCN(C)c1ccc(C2Oc3cccc(OC(F)F)c3-c3ccc(NS(C)(=O)=O)cc32)cc1
InChIInChI=1S/C25H24F2N2O4S/c1-4-14-29(2)18-11-8-16(9-12-18)24-20-15-17(28-34(3,30)31)10-13-19(20)23-21(32-24)6-5-7-22(23)33-25(26)27/h4-13,15,24-25,28H,1,14H2,2-3H3
InChIKeyRGCBHAIOZQPCKH-UHFFFAOYSA-N
XLogP5.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-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 N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10140990) is N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCN(C)c1ccc(C2Oc3cccc(OC(F)F)c3-c3ccc(NS(C)(=O)=O)cc32)cc1.
What is the InChIKey of N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is RGCBHAIOZQPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O4S/c1-4-14-29(2)18-11-8-16(9-12-18)24-20-15-17(28-34(3,30)31)10-13-19(20)23-21(32-24)6-5-7-22(23)33-25(26)27/h4-13,15,24-25,28H,1,14H2,2-3H3.
What are the key properties of N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 486.54 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10140990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).