5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide

C16H21BrN2O3S — CID 4571342

IUPAC5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2
InChIInChI=1S/C16H21BrN2O3S/c1-3-18(4-2)23(21,22)14-10-13(17)9-12-7-8-19(15(12)14)16(20)11-5-6-11/h9-11H,3-8H2,1-2H3
InChIKeyAJILJBUCXDJAPQ-UHFFFAOYSA-N
MW401.33 g/mol
LogP2.78
Rot. Bonds5

About 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide

5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 4571342) has the molecular formula C16H21BrN2O3S and a molecular weight of 401.33 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
PubChem CID4571342
Molecular FormulaC16H21BrN2O3S
Molecular Weight401.33 g/mol
Exact Mass400.05
IUPAC Name5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2
InChIInChI=1S/C16H21BrN2O3S/c1-3-18(4-2)23(21,22)14-10-13(17)9-12-7-8-19(15(12)14)16(20)11-5-6-11/h9-11H,3-8H2,1-2H3
InChIKeyAJILJBUCXDJAPQ-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-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

5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4176326
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide
CID 15987799
5-bromo-1-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3243098
2-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
CID 5095633
N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
CID 15993844
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide
CID 4175791
[5-bromo-7-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987827
[5-bromo-7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987810
1-[5-bromo-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3324791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide (CID 4571342) is 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide is CCN(CC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2.
What is the InChIKey of 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is AJILJBUCXDJAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3S/c1-3-18(4-2)23(21,22)14-10-13(17)9-12-7-8-19(15(12)14)16(20)11-5-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide?
5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 401.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 4571342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).