1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide

C20H21BrN2O3S — CID 46504145

IUPAC1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC3CCCc4ccccc43)cc21
InChIInChI=1S/C20H21BrN2O3S/c1-13(24)23-10-9-15-11-17(21)20(12-19(15)23)27(25,26)22-18-8-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,11-12,18,22H,4,6,8-10H2,1H3
InChIKeyUHRJEMAPBQEGSH-UHFFFAOYSA-N
MW449.37 g/mol
LogP3.71
Rot. Bonds3

About 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 46504145) has the molecular formula C20H21BrN2O3S and a molecular weight of 449.37 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
PubChem CID46504145
Molecular FormulaC20H21BrN2O3S
Molecular Weight449.37 g/mol
Exact Mass448.05
IUPAC Name1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC3CCCc4ccccc43)cc21
InChIInChI=1S/C20H21BrN2O3S/c1-13(24)23-10-9-15-11-17(21)20(12-19(15)23)27(25,26)22-18-8-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,11-12,18,22H,4,6,8-10H2,1H3
InChIKeyUHRJEMAPBQEGSH-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 95065907
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721948
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 53005223
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
CID 46503650
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
3-bromo-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43916531
3-bromo-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30325571

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide (CID 46504145) is 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC3CCCc4ccccc43)cc21.
What is the InChIKey of 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is UHRJEMAPBQEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3S/c1-13(24)23-10-9-15-11-17(21)20(12-19(15)23)27(25,26)22-18-8-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,11-12,18,22H,4,6,8-10H2,1H3.
What are the key properties of 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 449.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46504145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).