5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide

C19H21BrN2O3S — CID 4290748

IUPAC5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c21
InChIInChI=1S/C19H21BrN2O3S/c1-4-18(23)22-8-7-14-10-15(20)11-17(19(14)22)26(24,25)21-16-6-5-12(2)13(3)9-16/h5-6,9-11,21H,4,7-8H2,1-3H3
InChIKeyYBDDBIILGJLGCT-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.17
Rot. Bonds4

About 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide

5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 4290748) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
PubChem CID4290748
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c21
InChIInChI=1S/C19H21BrN2O3S/c1-4-18(23)22-8-7-14-10-15(20)11-17(19(14)22)26(24,25)21-16-6-5-12(2)13(3)9-16/h5-6,9-11,21H,4,7-8H2,1-3H3
InChIKeyYBDDBIILGJLGCT-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 15992883
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
1-acetyl-5-bromo-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 3419542
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 15987966
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
1-[5-bromo-7-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 4276095
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 4274945
1-acetyl-5-bromo-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)-2,3-dihydroindole-7-sulfonamide
CID 20944508
1-[7-(4-benzylpiperidin-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]propan-1-one
CID 22422219
(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 94850569

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide (CID 4290748) is 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c21.
What is the InChIKey of 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is YBDDBIILGJLGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-4-18(23)22-8-7-14-10-15(20)11-17(19(14)22)26(24,25)21-16-6-5-12(2)13(3)9-16/h5-6,9-11,21H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 437.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 4290748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).