N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide

C7H9BrN2O2S — CID 59534656

IUPACN-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O2S/c1-13(11,12)10-4-6-2-7(8)5-9-3-6/h2-3,5,10H,4H2,1H3
InChIKeyKAAICSHHAREOHS-UHFFFAOYSA-N
MW265.13 g/mol
LogP0.89
Rot. Bonds3

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

N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 59534656) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide
PubChem CID59534656
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O2S/c1-13(11,12)10-4-6-2-7(8)5-9-3-6/h2-3,5,10H,4H2,1H3
InChIKeyKAAICSHHAREOHS-UHFFFAOYSA-N
XLogP0.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(5-bromo-3-pyridinyl)methylamino]propyl]methanesulfonamide
CID 104856887
N-[(5-bromo-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 104796774
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104796856
N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide
CID 126558714
1-(5-bromo-3-pyridinyl)-N-iodomethanamine
CID 91903017
2-(5-bromo-3-pyridinyl)ethyl methanesulfonate
CID 121413965
1-(5-bromo-3-pyridinyl)-3-methylsulfonylbutan-2-ol
CID 115833451
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
2-[(5-bromo-3-pyridinyl)methylsulfonyl]ethanamine
CID 104814000
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
(5-bromo-3-pyridinyl)methanamine;N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide;5-methoxy-1,3-benzothiazole;N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
CID 162168040
2-N-[(5-bromo-3-pyridinyl)methyl]-1-N-tert-butylpropane-1,2-diamine
CID 113407504

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide (CID 59534656) is N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is KAAICSHHAREOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-13(11,12)10-4-6-2-7(8)5-9-3-6/h2-3,5,10H,4H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide?
N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 265.13 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 59534656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).