N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide

C19H18FN3O3S — CID 11501937

IUPACN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide
SMILESCC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4F)ccc3N2C1
InChIInChI=1S/C19H18FN3O3S/c1-19(2)10-21-18-17(24)13-9-12(7-8-15(13)23(18)11-19)22-27(25,26)16-6-4-3-5-14(16)20/h3-9,22H,10-11H2,1-2H3
InChIKeyHFAMWLLEZDOVIP-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.07
Rot. Bonds3

About N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide

N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide (PubChem CID 11501937) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide
PubChem CID11501937
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide
SMILESCC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4F)ccc3N2C1
InChIInChI=1S/C19H18FN3O3S/c1-19(2)10-21-18-17(24)13-9-12(7-8-15(13)23(18)11-19)22-27(25,26)16-6-4-3-5-14(16)20/h3-9,22H,10-11H2,1-2H3
InChIKeyHFAMWLLEZDOVIP-UHFFFAOYSA-N
XLogP3.07
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide with MolForge

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Related Compounds

Pyrimidoindolone, 22c
CID 11503023
8-({(2S)-2-[(Cyclohexylamino)methyl]pyrrolidin-1-yl}sulfonyl)-3,3-dimethyl-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one
CID 11576187
N-(3,3-Dimethyl-10-oxo-2,3,4,10-tetrahydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide
CID 11682171
Pyrimidoindolone, 22e
CID 11640020
Pyrimidoindolone, 22h
CID 11682504
2-(Dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 85469242
3,3-dimethyl-8-[(2S)-2-(piperazin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-2,4-dihydropyrimido[1,2-a]indol-10-one
CID 46226751
2-Amino-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478646
N-(6,12-dioxoindolo[2,1-b]quinazolin-8-yl)methanesulfonamide
CID 44313801
N-(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)-4-fluorobenzenesulfonamide
CID 172439405
N-(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 172440394
N-(6,12-dioxoindolo[2,1-b]quinazolin-8-yl)-3-fluorobenzenesulfonamide
CID 172449530

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide (CID 11501937) is N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide is CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4F)ccc3N2C1.
What is the InChIKey of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide?
The InChIKey is HFAMWLLEZDOVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-19(2)10-21-18-17(24)13-9-12(7-8-15(13)23(18)11-19)22-27(25,26)16-6-4-3-5-14(16)20/h3-9,22H,10-11H2,1-2H3.
What are the key properties of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide?
N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 11501937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).