3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide

C23H25Br4N7O4S2 — CID 159333114

IUPAC3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Cc1cncc(Br)c1.CS(=O)(=O)Nc1ccc(Br)cn1.Nc1ccc(Br)cn1.Nc1cncc(Br)c1
InChIInChI=1S/C7H8BrNO2S.C6H7BrN2O2S.2C5H5BrN2/c1-12(10,11)5-6-2-7(8)4-9-3-6;1-12(10,11)9-6-3-2-5(7)4-8-6;6-4-1-5(7)3-8-2-4;6-4-1-2-5(7)8-3-4/h2-4H,5H2,1H3;2-4H,1H3,(H,8,9);1-3H,7H2;1-3H,(H2,7,8)
InChIKeyLFEXCDFMOOKUCK-UHFFFAOYSA-N
MW847.25 g/mol
LogP5.46
Rot. Bonds4

About 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide

3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide (PubChem CID 159333114) has the molecular formula C23H25Br4N7O4S2 and a molecular weight of 847.25 g/mol. Its IUPAC name is 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide
PubChem CID159333114
Molecular FormulaC23H25Br4N7O4S2
Molecular Weight847.25 g/mol
Exact Mass842.81
IUPAC Name3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Cc1cncc(Br)c1.CS(=O)(=O)Nc1ccc(Br)cn1.Nc1ccc(Br)cn1.Nc1cncc(Br)c1
InChIInChI=1S/C7H8BrNO2S.C6H7BrN2O2S.2C5H5BrN2/c1-12(10,11)5-6-2-7(8)4-9-3-6;1-12(10,11)9-6-3-2-5(7)4-8-6;6-4-1-5(7)3-8-2-4;6-4-1-2-5(7)8-3-4/h2-4H,5H2,1H3;2-4H,1H3,(H,8,9);1-3H,7H2;1-3H,(H2,7,8)
InChIKeyLFEXCDFMOOKUCK-UHFFFAOYSA-N
XLogP5.46
TPSA183.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.25
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)imino-methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfane;imino-methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfane
CID 160154410
(3R,6S)-3-[2-[(3-bromo-1,7-naphthyridin-8-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 173940770
3-[2-[(3-bromo-1,7-naphthyridin-8-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 144972583
4-[5-Bromo-6-[3,3-dimethyl-4-(2-methylsulfonylethyl)piperazin-1-yl]pyridine-2-carboximidoyl]-6-(1-methylazet-1-ium-3-yl)pyridin-3-amine
CID 123461463
3-[2-[(3-bromo-1,7-naphthyridin-8-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine;cyclopropane;ethane
CID 144972582
2-Bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-lambda6-sulfane;imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-lambda6-sulfane
CID 157089989
5-bromo-3-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine-2,3-diamine;5-bromopyridine-2,3-diamine
CID 159774450
N-[5-bromo-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]benzenesulfonamide;N-(5-bromo-2-thiomorpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 167558747
5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride
CID 167623379
N-(5-amino-3-bromo-2-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 65711828
5-bromo-3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-2-amine
CID 133373937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide?
The IUPAC name of 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide (CID 159333114) is 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide is CS(=O)(=O)Cc1cncc(Br)c1.CS(=O)(=O)Nc1ccc(Br)cn1.Nc1ccc(Br)cn1.Nc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide?
The InChIKey is LFEXCDFMOOKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S.C6H7BrN2O2S.2C5H5BrN2/c1-12(10,11)5-6-2-7(8)4-9-3-6;1-12(10,11)9-6-3-2-5(7)4-8-6;6-4-1-5(7)3-8-2-4;6-4-1-2-5(7)8-3-4/h2-4H,5H2,1H3;2-4H,1H3,(H,8,9);1-3H,7H2;1-3H,(H2,7,8).
What are the key properties of 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide?
3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide has a molecular weight of 847.25 g/mol, XLogP of 5.46, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(methylsulfonylmethyl)pyridine;5-bromopyridin-2-amine;5-bromopyridin-3-amine;N-(5-bromo-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 159333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).