5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide

C19H19BrN2O3S2 — CID 46504996

IUPAC5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C19H19BrN2O3S2/c1-26-15-4-2-3-14(10-15)21-27(24,25)18-11-17-13(9-16(18)20)7-8-22(17)19(23)12-5-6-12/h2-4,9-12,21H,5-8H2,1H3
InChIKeyDQCFOJNHNAHZET-UHFFFAOYSA-N
MW467.41 g/mol
LogP4.27
Rot. Bonds5

About 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide

5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 46504996) has the molecular formula C19H19BrN2O3S2 and a molecular weight of 467.41 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID46504996
Molecular FormulaC19H19BrN2O3S2
Molecular Weight467.41 g/mol
Exact Mass466.00
IUPAC Name5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C19H19BrN2O3S2/c1-26-15-4-2-3-14(10-15)21-27(24,25)18-11-17-13(9-16(18)20)7-8-22(17)19(23)12-5-6-12/h2-4,9-12,21H,5-8H2,1H3
InChIKeyDQCFOJNHNAHZET-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(cyclopropanecarbonyl)-N-(3-nitrophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46504966
5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505043
1-acetyl-5-bromo-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 3419542
5-bromo-N-(2-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 46505031
5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505036
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-(3-methylphenyl)propanamide
CID 46248595
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
5-bromo-1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)ethyl]-2,3-dihydroindole-6-sulfonamide
CID 46374628
ethyl 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504892
ethyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504139
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,4,5-trimethylbenzenesulfonamide
CID 7498812

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide (CID 46504996) is 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide is CSc1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1.
What is the InChIKey of 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is DQCFOJNHNAHZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S2/c1-26-15-4-2-3-14(10-15)21-27(24,25)18-11-17-13(9-16(18)20)7-8-22(17)19(23)12-5-6-12/h2-4,9-12,21H,5-8H2,1H3.
What are the key properties of 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide?
5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 467.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46504996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).