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

C19H19N3O3S — CID 11682171

IUPACN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide
SMILESCC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2C1
InChIInChI=1S/C19H19N3O3S/c1-19(2)11-20-18-17(23)15-10-13(8-9-16(15)22(18)12-19)21-26(24,25)14-6-4-3-5-7-14/h3-10,21H,11-12H2,1-2H3
InChIKeyAKXKXHUDKWGXFD-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.93
Rot. Bonds3

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

N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide (PubChem CID 11682171) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide
PubChem CID11682171
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide
SMILESCC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2C1
InChIInChI=1S/C19H19N3O3S/c1-19(2)11-20-18-17(23)15-10-13(8-9-16(15)22(18)12-19)21-26(24,25)14-6-4-3-5-7-14/h3-10,21H,11-12H2,1-2H3
InChIKeyAKXKXHUDKWGXFD-UHFFFAOYSA-N
XLogP2.93
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.93
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)benzenesulfonamide?
The IUPAC name of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide (CID 11682171) is N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide is CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2C1.
What is the InChIKey of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide?
The InChIKey is AKXKXHUDKWGXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-19(2)11-20-18-17(23)15-10-13(8-9-16(15)22(18)12-19)21-26(24,25)14-6-4-3-5-7-14/h3-10,21H,11-12H2,1-2H3.
What are the key properties of N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide?
N-(3,3-dimethyl-10-oxo-2,4-dihydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.93, 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)benzenesulfonamide is sourced from PubChem (CID 11682171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).