N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

C20H16ClN3O5S — CID 71031839

IUPACN-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCC1OC(c2c[nH]c3c(=O)[nH]c4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4c23)O1
InChIInChI=1S/C20H16ClN3O5S/c1-10-28-20(29-10)15-9-22-18-17(15)14-8-13(6-7-16(14)23-19(18)25)30(26,27)24-12-4-2-11(21)3-5-12/h2-10,20,22,24H,1H3,(H,23,25)
InChIKeyDYXXKOOFCVMHLG-UHFFFAOYSA-N
MW445.88 g/mol
LogP3.86
Rot. Bonds4

About N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (PubChem CID 71031839) has the molecular formula C20H16ClN3O5S and a molecular weight of 445.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
PubChem CID71031839
Molecular FormulaC20H16ClN3O5S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC NameN-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCC1OC(c2c[nH]c3c(=O)[nH]c4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4c23)O1
InChIInChI=1S/C20H16ClN3O5S/c1-10-28-20(29-10)15-9-22-18-17(15)14-8-13(6-7-16(14)23-19(18)25)30(26,27)24-12-4-2-11(21)3-5-12/h2-10,20,22,24H,1H3,(H,23,25)
InChIKeyDYXXKOOFCVMHLG-UHFFFAOYSA-N
XLogP3.86
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68936772
8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68563358
N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 166302689
ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605161
ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15604631
8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68566527
3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68936937
[8-(4-aminobutylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] ethyl carbonate
CID 68566420
N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)naphthalene-2-sulfonamide
CID 68935733
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
ethyl 8-(4-aminobutylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15604632
4-oxo-8-sulfo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 87498912

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (CID 71031839) is N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is CC1OC(c2c[nH]c3c(=O)[nH]c4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4c23)O1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The InChIKey is DYXXKOOFCVMHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S/c1-10-28-20(29-10)15-9-22-18-17(15)14-8-13(6-7-16(14)23-19(18)25)30(26,27)24-12-4-2-11(21)3-5-12/h2-10,20,22,24H,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide has a molecular weight of 445.88 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is sourced from PubChem (CID 71031839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).