5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

C21H23BrN2O5S — CID 46505085

IUPAC5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(OC)c1
InChIInChI=1S/C21H23BrN2O5S/c1-23(17-7-6-15(28-2)11-19(17)29-3)30(26,27)20-12-18-14(10-16(20)22)8-9-24(18)21(25)13-4-5-13/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyAPLPOHITJKRWTB-UHFFFAOYSA-N
MW495.40 g/mol
LogP3.59
Rot. Bonds6

About 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 46505085) has the molecular formula C21H23BrN2O5S and a molecular weight of 495.40 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID46505085
Molecular FormulaC21H23BrN2O5S
Molecular Weight495.40 g/mol
Exact Mass494.05
IUPAC Name5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(OC)c1
InChIInChI=1S/C21H23BrN2O5S/c1-23(17-7-6-15(28-2)11-19(17)29-3)30(26,27)20-12-18-14(10-16(20)22)8-9-24(18)21(25)13-4-5-13/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyAPLPOHITJKRWTB-UHFFFAOYSA-N
XLogP3.59
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide
CID 4175791
(5-bromo-2,3-dihydroindol-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799676
5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505036
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 15994355
5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505043
5-bromo-1-(cyclopropanecarbonyl)-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46504996
5-bromo-1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)ethyl]-2,3-dihydroindole-6-sulfonamide
CID 46374628
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-butan-2-ylpropanamide
CID 46248511
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-(3-methylphenyl)propanamide
CID 46248595
[5-bromo-6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 46504972
methyl 2-[3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]propanoylamino]benzoate
CID 46248537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (CID 46505085) is 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(OC)c1.
What is the InChIKey of 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is APLPOHITJKRWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O5S/c1-23(17-7-6-15(28-2)11-19(17)29-3)30(26,27)20-12-18-14(10-16(20)22)8-9-24(18)21(25)13-4-5-13/h6-7,10-13H,4-5,8-9H2,1-3H3.
What are the key properties of 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 495.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46505085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).