1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide

C17H16BrClN2O3S — CID 15992883

IUPAC1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c21
InChIInChI=1S/C17H16BrClN2O3S/c1-10-3-4-14(19)9-15(10)20-25(23,24)16-8-13(18)7-12-5-6-21(11(2)22)17(12)16/h3-4,7-9,20H,5-6H2,1-2H3
InChIKeyNKFHSJABQZENFX-UHFFFAOYSA-N
MW443.75 g/mol
LogP4.12
Rot. Bonds3

About 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide (PubChem CID 15992883) has the molecular formula C17H16BrClN2O3S and a molecular weight of 443.75 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide
PubChem CID15992883
Molecular FormulaC17H16BrClN2O3S
Molecular Weight443.75 g/mol
Exact Mass441.98
IUPAC Name1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c21
InChIInChI=1S/C17H16BrClN2O3S/c1-10-3-4-14(19)9-15(10)20-25(23,24)16-8-13(18)7-12-5-6-21(11(2)22)17(12)16/h3-4,7-9,20H,5-6H2,1-2H3
InChIKeyNKFHSJABQZENFX-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
1-acetyl-5-bromo-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)-2,3-dihydroindole-7-sulfonamide
CID 20944508
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 4290748
1-acetyl-5-bromo-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 3419542
2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 46248416
1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
CID 126478790
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
CID 55353794
[5-bromo-7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987810
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide (CID 15992883) is 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide is CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cc(Cl)ccc3C)c21.
What is the InChIKey of 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide?
The InChIKey is NKFHSJABQZENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3S/c1-10-3-4-14(19)9-15(10)20-25(23,24)16-8-13(18)7-12-5-6-21(11(2)22)17(12)16/h3-4,7-9,20H,5-6H2,1-2H3.
What are the key properties of 1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide has a molecular weight of 443.75 g/mol, XLogP of 4.12, 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-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 15992883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).