5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide

C12H14BrN5O2S — CID 62145613

IUPAC5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C12H14BrN5O2S/c1-2-3-16-12-10(6-9(13)7-17-12)21(19,20)18-11-8-14-4-5-15-11/h4-8H,2-3H2,1H3,(H,15,18)(H,16,17)
InChIKeyRLVDUTCSZSXNTL-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.26
Rot. Bonds6

About 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide

5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide (PubChem CID 62145613) has the molecular formula C12H14BrN5O2S and a molecular weight of 372.25 g/mol. Its IUPAC name is 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
PubChem CID62145613
Molecular FormulaC12H14BrN5O2S
Molecular Weight372.25 g/mol
Exact Mass371.01
IUPAC Name5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C12H14BrN5O2S/c1-2-3-16-12-10(6-9(13)7-17-12)21(19,20)18-11-8-14-4-5-15-11/h4-8H,2-3H2,1H3,(H,15,18)(H,16,17)
InChIKeyRLVDUTCSZSXNTL-UHFFFAOYSA-N
XLogP2.26
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide (CID 62145613) is 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)Nc1cnccn1.
What is the InChIKey of 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide?
The InChIKey is RLVDUTCSZSXNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2S/c1-2-3-16-12-10(6-9(13)7-17-12)21(19,20)18-11-8-14-4-5-15-11/h4-8H,2-3H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide?
5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide has a molecular weight of 372.25 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 62145613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).