6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide

C21H22BrN3O4S — CID 55556273

IUPAC6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H22BrN3O4S/c1-29-19-8-7-16(13-20(19)30(27,28)25-9-3-2-4-10-25)23-21(26)18-11-14-5-6-15(22)12-17(14)24-18/h5-8,11-13,24H,2-4,9-10H2,1H3,(H,23,26)
InChIKeyWKOZVVLKDWCCOM-UHFFFAOYSA-N
MW492.40 g/mol
LogP4.37
Rot. Bonds5

About 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide

6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide (PubChem CID 55556273) has the molecular formula C21H22BrN3O4S and a molecular weight of 492.40 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide
PubChem CID55556273
Molecular FormulaC21H22BrN3O4S
Molecular Weight492.40 g/mol
Exact Mass491.05
IUPAC Name6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H22BrN3O4S/c1-29-19-8-7-16(13-20(19)30(27,28)25-9-3-2-4-10-25)23-21(26)18-11-14-5-6-15(22)12-17(14)24-18/h5-8,11-13,24H,2-4,9-10H2,1H3,(H,23,26)
InChIKeyWKOZVVLKDWCCOM-UHFFFAOYSA-N
XLogP4.37
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide 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-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 46566663
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 8890703
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55755898
N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
CID 46682881

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide (CID 55556273) is 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The InChIKey is WKOZVVLKDWCCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O4S/c1-29-19-8-7-16(13-20(19)30(27,28)25-9-3-2-4-10-25)23-21(26)18-11-14-5-6-15(22)12-17(14)24-18/h5-8,11-13,24H,2-4,9-10H2,1H3,(H,23,26).
What are the key properties of 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide?
6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide has a molecular weight of 492.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 55556273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).