5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide

C14H16BrN3O3S — CID 15604615

IUPAC5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H16BrN3O3S/c15-9-4-5-11-10(8-9)13(12(17-11)14(16)19)22(20,21)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7H2,(H2,16,19)
InChIKeyLZRATWQDFZVVJL-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.20
Rot. Bonds3

About 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide

5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide (PubChem CID 15604615) has the molecular formula C14H16BrN3O3S and a molecular weight of 386.27 g/mol. Its IUPAC name is 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide
PubChem CID15604615
Molecular FormulaC14H16BrN3O3S
Molecular Weight386.27 g/mol
Exact Mass385.01
IUPAC Name5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H16BrN3O3S/c15-9-4-5-11-10(8-9)13(12(17-11)14(16)19)22(20,21)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7H2,(H2,16,19)
InChIKeyLZRATWQDFZVVJL-UHFFFAOYSA-N
XLogP2.20
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-(Pyrrolidin-1-Ylsulfonyl)-1h-Indole-2-Carboxamide
CID 11984575
5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide
CID 15604873
(5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9923162
3-(3-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
CID 25093423
5-bromo-3-[(3,3-difluorocyclopentyl)sulfamoyl]-1H-indole-2-carboxamide
CID 44447110
5-bromo-3-(3,5-dimethylphenyl)sulfonyl-N-(2-sulfamoylethyl)-1H-indole-2-carboxamide
CID 44592425
(5-Bromo-1H-indol-2-yl)(2,3-dihydro-1H-indol-1-yl)methanone
CID 7693269
(7-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 9966927
5-Bromo-1H-indole-2-carboxylic acid ((S)-1-dimethylcarbamoyl-2-phenyl-ethyl)-amide
CID 10764258
(6-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 10860228
(4-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 11120826
5-bromo-3-(cyclohexylsulfamoyl)-1H-indole-2-carboxamide
CID 15604617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide (CID 15604615) is 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide?
The InChIKey is LZRATWQDFZVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3S/c15-9-4-5-11-10(8-9)13(12(17-11)14(16)19)22(20,21)18-6-2-1-3-7-18/h4-5,8,17H,1-3,6-7H2,(H2,16,19).
What are the key properties of 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide?
5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide has a molecular weight of 386.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-piperidin-1-ylsulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 15604615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).