5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C16H16BrN3O3S — CID 2471954

IUPAC5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C16H16BrN3O3S/c17-13-9-12(10-18-11-13)16(21)19-14-3-5-15(6-4-14)24(22,23)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2,(H,19,21)
InChIKeyRTCSNSNCNPOISF-UHFFFAOYSA-N
MW410.29 g/mol
LogP2.88
Rot. Bonds4

About 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 2471954) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID2471954
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC Name5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C16H16BrN3O3S/c17-13-9-12(10-18-11-13)16(21)19-14-3-5-15(6-4-14)24(22,23)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2,(H,19,21)
InChIKeyRTCSNSNCNPOISF-UHFFFAOYSA-N
XLogP2.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 2471954) is 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is RTCSNSNCNPOISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c17-13-9-12(10-18-11-13)16(21)19-14-3-5-15(6-4-14)24(22,23)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8H2,(H,19,21).
What are the key properties of 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 410.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2471954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).