N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide

C9H11BrN2O2S — CID 142611965

IUPACN-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H11BrN2O2S/c1-15(13,14)12(8-2-3-8)9-4-7(10)5-11-6-9/h4-6,8H,2-3H2,1H3
InChIKeyOCLWQMYFYYGMIM-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.77
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide

N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide (PubChem CID 142611965) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide
PubChem CID142611965
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC NameN-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H11BrN2O2S/c1-15(13,14)12(8-2-3-8)9-4-7(10)5-11-6-9/h4-6,8H,2-3H2,1H3
InChIKeyOCLWQMYFYYGMIM-UHFFFAOYSA-N
XLogP1.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide (CID 142611965) is N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide is CS(=O)(=O)N(c1cncc(Br)c1)C1CC1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide?
The InChIKey is OCLWQMYFYYGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-15(13,14)12(8-2-3-8)9-4-7(10)5-11-6-9/h4-6,8H,2-3H2,1H3.
What are the key properties of N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide?
N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide has a molecular weight of 291.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-N-cyclopropylmethanesulfonamide is sourced from PubChem (CID 142611965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).