1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C20H19N3O4S — CID 110324349

IUPAC1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C20H19N3O4S/c1-13(24)23-9-8-15-11-17(6-7-19(15)23)28(26,27)21-12-16-10-14-4-2-3-5-18(14)22-20(16)25/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,25)
InChIKeyQQJWGCYIXMVBDW-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.92
Rot. Bonds4

About 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 110324349) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID110324349
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C20H19N3O4S/c1-13(24)23-9-8-15-11-17(6-7-19(15)23)28(26,27)21-12-16-10-14-4-2-3-5-18(14)22-20(16)25/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,25)
InChIKeyQQJWGCYIXMVBDW-UHFFFAOYSA-N
XLogP1.92
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
CID 86812574
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
N-[4-[(2-oxo-1H-quinolin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110324340
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 78820847
1-acetyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 113081583
1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110714907
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 46972328
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 110324349) is 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCc3cc4ccccc4[nH]c3=O)ccc21.
What is the InChIKey of 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QQJWGCYIXMVBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13(24)23-9-8-15-11-17(6-7-19(15)23)28(26,27)21-12-16-10-14-4-2-3-5-18(14)22-20(16)25/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,25).
What are the key properties of 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110324349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).