2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide

C13H19BrN4O3S — CID 6623866

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H19BrN4O3S/c1-18(8-12(19)17-10-4-2-3-5-10)22(20,21)11-6-9(14)7-16-13(11)15/h6-7,10H,2-5,8H2,1H3,(H2,15,16)(H,17,19)
InChIKeyCFBJZBLQEQLIHQ-UHFFFAOYSA-N
MW391.29 g/mol
LogP1.11
Rot. Bonds5

About 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide (PubChem CID 6623866) has the molecular formula C13H19BrN4O3S and a molecular weight of 391.29 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide
PubChem CID6623866
Molecular FormulaC13H19BrN4O3S
Molecular Weight391.29 g/mol
Exact Mass390.04
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H19BrN4O3S/c1-18(8-12(19)17-10-4-2-3-5-10)22(20,21)11-6-9(14)7-16-13(11)15/h6-7,10H,2-5,8H2,1H3,(H2,15,16)(H,17,19)
InChIKeyCFBJZBLQEQLIHQ-UHFFFAOYSA-N
XLogP1.11
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide (CID 6623866) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide is CN(CC(=O)NC1CCCC1)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
The InChIKey is CFBJZBLQEQLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O3S/c1-18(8-12(19)17-10-4-2-3-5-10)22(20,21)11-6-9(14)7-16-13(11)15/h6-7,10H,2-5,8H2,1H3,(H2,15,16)(H,17,19).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide has a molecular weight of 391.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 6623866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).