1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide

C21H17N3O3S2 — CID 24509991

IUPAC1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4c(ccc5ccccc54)s3)ccc21
InChIInChI=1S/C21H17N3O3S2/c1-13(25)24-11-10-15-12-16(7-8-18(15)24)29(26,27)23-21-22-20-17-5-3-2-4-14(17)6-9-19(20)28-21/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyWIVHMTTYAWPVAY-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.16
Rot. Bonds3

About 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide (PubChem CID 24509991) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide
PubChem CID24509991
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC Name1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4c(ccc5ccccc54)s3)ccc21
InChIInChI=1S/C21H17N3O3S2/c1-13(25)24-11-10-15-12-16(7-8-18(15)24)29(26,27)23-21-22-20-17-5-3-2-4-14(17)6-9-19(20)28-21/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyWIVHMTTYAWPVAY-UHFFFAOYSA-N
XLogP4.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-3,4-difluorobenzenesulfonamide
CID 8603569
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 58565725
1-acetyl-N-(2-thiophen-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 17469301
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970376
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
CID 166596719
1-acetyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100621779
1-acetyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydroindole-5-sulfonamide
CID 24510185
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-acetyl-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55434379

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide (CID 24509991) is 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4c(ccc5ccccc54)s3)ccc21.
What is the InChIKey of 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WIVHMTTYAWPVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-13(25)24-11-10-15-12-16(7-8-18(15)24)29(26,27)23-21-22-20-17-5-3-2-4-14(17)6-9-19(20)28-21/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 423.52 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24509991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).