5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide

C20H21BrN2O3S — CID 15987799

IUPAC5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1
InChIInChI=1S/C20H21BrN2O3S/c1-13-2-4-14(5-3-13)12-22-27(25,26)18-11-17(21)10-16-8-9-23(19(16)18)20(24)15-6-7-15/h2-5,10-11,15,22H,6-9,12H2,1H3
InChIKeySUAIAFFKPXMJOH-UHFFFAOYSA-N
MW449.37 g/mol
LogP3.54
Rot. Bonds5

About 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide

5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide (PubChem CID 15987799) has the molecular formula C20H21BrN2O3S and a molecular weight of 449.37 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide
PubChem CID15987799
Molecular FormulaC20H21BrN2O3S
Molecular Weight449.37 g/mol
Exact Mass448.05
IUPAC Name5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1
InChIInChI=1S/C20H21BrN2O3S/c1-13-2-4-14(5-3-13)12-22-27(25,26)18-11-17(21)10-16-8-9-23(19(16)18)20(24)15-6-7-15/h2-5,10-11,15,22H,6-9,12H2,1H3
InChIKeySUAIAFFKPXMJOH-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3243098
N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
CID 15993844
5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
CID 4571342
5-bromo-1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)ethyl]-2,3-dihydroindole-6-sulfonamide
CID 46374628
[5-bromo-7-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987827
5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4176326
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
CID 126478790
[5-bromo-7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987810
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 4280731
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 4290748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide (CID 15987799) is 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)cc1.
What is the InChIKey of 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide?
The InChIKey is SUAIAFFKPXMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3S/c1-13-2-4-14(5-3-13)12-22-27(25,26)18-11-17(21)10-16-8-9-23(19(16)18)20(24)15-6-7-15/h2-5,10-11,15,22H,6-9,12H2,1H3.
What are the key properties of 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide?
5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide has a molecular weight of 449.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 15987799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).