N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide

C24H19FN2O4S — CID 134848694

IUPACN-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide
SMILESCN(c1[nH]c2c(C(=O)C(=O)c3ccc(F)cc3)cccc2c1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H19FN2O4S/c1-27(32(2,30)31)24-20(15-7-4-3-5-8-15)18-9-6-10-19(21(18)26-24)23(29)22(28)16-11-13-17(25)14-12-16/h3-14,26H,1-2H3
InChIKeyFSHVMYSKUVVOIM-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.44
Rot. Bonds6

About N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide

N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide (PubChem CID 134848694) has the molecular formula C24H19FN2O4S and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide
PubChem CID134848694
Molecular FormulaC24H19FN2O4S
Molecular Weight450.49 g/mol
Exact Mass450.10
IUPAC NameN-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide
SMILESCN(c1[nH]c2c(C(=O)C(=O)c3ccc(F)cc3)cccc2c1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H19FN2O4S/c1-27(32(2,30)31)24-20(15-7-4-3-5-8-15)18-9-6-10-19(21(18)26-24)23(29)22(28)16-11-13-17(25)14-12-16/h3-14,26H,1-2H3
InChIKeyFSHVMYSKUVVOIM-UHFFFAOYSA-N
XLogP4.44
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methyl-6H-indolo[2,3-b]quinolin-11-one
CID 71574152
5-methyl-2-(trifluoromethyl)-6H-indolo[2,3-b]quinolin-11-one
CID 71574153
N-[4-acetyl-3-(4-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-N-benzylmethanesulfonamide
CID 132916832
N-[7-[2-(3-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide
CID 134848696
2-Fluoro-5,6-dihydroindolo[2,3-b]quinolin-11-one
CID 139219459
5-methyl-6H-indolo[2,3-b]quinolin-11-one
CID 12205647
3-(4-Fluorophenyl)-1,9-bis(methylsulfonyl)-6-propanoylpyrido[2,3-b]indol-2-one
CID 69191873
2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide
CID 142648560
4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide
CID 158659156
6-Fluoro-2-methylsulfonyl-3,9-dihydropyrimido[4,5-b]indol-4-one
CID 175288625
N-[3-acetyl-1-(benzenesulfonyl)indol-2-yl]benzamide
CID 101787417
N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide
CID 132916835

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide (CID 134848694) is N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide is CN(c1[nH]c2c(C(=O)C(=O)c3ccc(F)cc3)cccc2c1-c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide?
The InChIKey is FSHVMYSKUVVOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4S/c1-27(32(2,30)31)24-20(15-7-4-3-5-8-15)18-9-6-10-19(21(18)26-24)23(29)22(28)16-11-13-17(25)14-12-16/h3-14,26H,1-2H3.
What are the key properties of N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide?
N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide has a molecular weight of 450.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(4-fluorophenyl)-2-oxoacetyl]-3-phenyl-1H-indol-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134848694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).