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

C13H14BrN3O3S — CID 11984575

IUPAC5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)
InChIKeyFEPUPYVRZUWCQB-UHFFFAOYSA-N
MW372.24 g/mol
LogP1.81
Rot. Bonds3

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

5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide (PubChem CID 11984575) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide
PubChem CID11984575
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC Name5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)
InChIKeyFEPUPYVRZUWCQB-UHFFFAOYSA-N
XLogP1.81
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide (CID 11984575) is 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide?
The InChIKey is FEPUPYVRZUWCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18).
What are the key properties of 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide?
5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide has a molecular weight of 372.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 11984575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).