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

C19H18FN3O3S — CID 11682504

IUPACN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide
SMILESCC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3N2C1
InChIInChI=1S/C19H18FN3O3S/c1-19(2)10-21-18-17(24)15-9-13(5-8-16(15)23(18)11-19)22-27(25,26)14-6-3-12(20)4-7-14/h3-9,22H,10-11H2,1-2H3
InChIKeyZTRWPSRAWREGQY-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)-4-fluorobenzenesulfonamide

N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide (PubChem CID 11682504) 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)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide
PubChem CID11682504
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)-4-fluorobenzenesulfonamide
SMILESCC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3N2C1
InChIInChI=1S/C19H18FN3O3S/c1-19(2)10-21-18-17(24)15-9-13(5-8-16(15)23(18)11-19)22-27(25,26)14-6-3-12(20)4-7-14/h3-9,22H,10-11H2,1-2H3
InChIKeyZTRWPSRAWREGQY-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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide (CID 11682504) is N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide is CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3N2C1.
What is the InChIKey of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-fluorobenzenesulfonamide?
The InChIKey is ZTRWPSRAWREGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-19(2)10-21-18-17(24)15-9-13(5-8-16(15)23(18)11-19)22-27(25,26)14-6-3-12(20)4-7-14/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)-4-fluorobenzenesulfonamide?
N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)-4-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)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 11682504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).