2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

C12H19BrN4O2S — CID 62147918

IUPAC2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C12H19BrN4O2S/c1-2-17-4-3-9(8-17)6-16-20(18,19)11-5-10(13)7-15-12(11)14/h5,7,9,16H,2-4,6,8H2,1H3,(H2,14,15)
InChIKeyAFIZQYMRKDUFDO-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.05
Rot. Bonds5

About 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 62147918) has the molecular formula C12H19BrN4O2S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID62147918
Molecular FormulaC12H19BrN4O2S
Molecular Weight363.28 g/mol
Exact Mass362.04
IUPAC Name2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C12H19BrN4O2S/c1-2-17-4-3-9(8-17)6-16-20(18,19)11-5-10(13)7-15-12(11)14/h5,7,9,16H,2-4,6,8H2,1H3,(H2,14,15)
InChIKeyAFIZQYMRKDUFDO-UHFFFAOYSA-N
XLogP1.05
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (CID 62147918) is 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is CCN1CCC(CNS(=O)(=O)c2cc(Br)cnc2N)C1.
What is the InChIKey of 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is AFIZQYMRKDUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2S/c1-2-17-4-3-9(8-17)6-16-20(18,19)11-5-10(13)7-15-12(11)14/h5,7,9,16H,2-4,6,8H2,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62147918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).