N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide

C7H10BrN3O2S — CID 66820509

IUPACN-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide
SMILESCNc1ncc(Br)cc1NS(C)(=O)=O
InChIInChI=1S/C7H10BrN3O2S/c1-9-7-6(11-14(2,12)13)3-5(8)4-10-7/h3-4,11H,1-2H3,(H,9,10)
InChIKeyWOMAKIKNRPUTPA-UHFFFAOYSA-N
MW280.15 g/mol
LogP1.26
Rot. Bonds3

About N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide

N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide (PubChem CID 66820509) has the molecular formula C7H10BrN3O2S and a molecular weight of 280.15 g/mol. Its IUPAC name is N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide
PubChem CID66820509
Molecular FormulaC7H10BrN3O2S
Molecular Weight280.15 g/mol
Exact Mass278.97
IUPAC NameN-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide
SMILESCNc1ncc(Br)cc1NS(C)(=O)=O
InChIInChI=1S/C7H10BrN3O2S/c1-9-7-6(11-14(2,12)13)3-5(8)4-10-7/h3-4,11H,1-2H3,(H,9,10)
InChIKeyWOMAKIKNRPUTPA-UHFFFAOYSA-N
XLogP1.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide (CID 66820509) is N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide is CNc1ncc(Br)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide?
The InChIKey is WOMAKIKNRPUTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2S/c1-9-7-6(11-14(2,12)13)3-5(8)4-10-7/h3-4,11H,1-2H3,(H,9,10).
What are the key properties of N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide?
N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide has a molecular weight of 280.15 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 66820509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).