2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide

C19H18BrClN2O4S — CID 46248416

IUPAC2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CC(=O)Nc3cc(Cl)ccc3C)cc21
InChIInChI=1S/C19H18BrClN2O4S/c1-11-3-4-14(21)8-16(11)22-19(25)10-28(26,27)18-9-17-13(7-15(18)20)5-6-23(17)12(2)24/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,25)
InChIKeySWAQVFJRVUJBNZ-UHFFFAOYSA-N
MW485.79 g/mol
LogP3.73
Rot. Bonds4

About 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide

2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 46248416) has the molecular formula C19H18BrClN2O4S and a molecular weight of 485.79 g/mol. Its IUPAC name is 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID46248416
Molecular FormulaC19H18BrClN2O4S
Molecular Weight485.79 g/mol
Exact Mass483.99
IUPAC Name2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CC(=O)Nc3cc(Cl)ccc3C)cc21
InChIInChI=1S/C19H18BrClN2O4S/c1-11-3-4-14(21)8-16(11)22-19(25)10-28(26,27)18-9-17-13(7-15(18)20)5-6-23(17)12(2)24/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,25)
InChIKeySWAQVFJRVUJBNZ-UHFFFAOYSA-N
XLogP3.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452814
1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 15992883
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)butanamide
CID 20914862
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 46506066
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
CID 46503650
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
1-[5-bromo-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 46504137
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide (CID 46248416) is 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide is CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CC(=O)Nc3cc(Cl)ccc3C)cc21.
What is the InChIKey of 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is SWAQVFJRVUJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O4S/c1-11-3-4-14(21)8-16(11)22-19(25)10-28(26,27)18-9-17-13(7-15(18)20)5-6-23(17)12(2)24/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,25).
What are the key properties of 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide?
2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 485.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 46248416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).