1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide

C7H9BrN2O2S — CID 165445527

IUPAC1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccncc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-9-13(11,12)5-6-2-3-10-4-7(6)8/h2-4,9H,5H2,1H3
InChIKeyYQKAQRSAWHBHGL-UHFFFAOYSA-N
MW265.13 g/mol
LogP0.89
Rot. Bonds3

About 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide

1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide (PubChem CID 165445527) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide
PubChem CID165445527
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccncc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-9-13(11,12)5-6-2-3-10-4-7(6)8/h2-4,9H,5H2,1H3
InChIKeyYQKAQRSAWHBHGL-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

4-Pyridineethanesulfonic acid
CID 96722
1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 743635
Pyridin-3-ylmethanesulfonamide
CID 33695611
3-Bromo-4-methylpyridine
CID 817630
4-bromo-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 823268
N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide
CID 878873
5-bromo-2-fluoro-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 1291234
4-(2-Methanesulphonamidoethyl)pyridine
CID 2797875
2-Bromo-4-ethylpyridine
CID 4114248
3-Bromo-4-ethylpyridine
CID 13160533
4-bromo-N'-[(1E)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 9665961
1-Ethylsulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 655242

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide (CID 165445527) is 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccncc1Br.
What is the InChIKey of 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide?
The InChIKey is YQKAQRSAWHBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-9-13(11,12)5-6-2-3-10-4-7(6)8/h2-4,9H,5H2,1H3.
What are the key properties of 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide?
1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide 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 1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 165445527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).