5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine

C14H13BrN2O2S — CID 164859807

IUPAC5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C14H13BrN2O2S/c15-10-7-13(14(16)17-8-10)9-1-3-11(4-2-9)20(18,19)12-5-6-12/h1-4,7-8,12H,5-6H2,(H2,16,17)
InChIKeyXJAZUYKMAPXPHO-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine

5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine (PubChem CID 164859807) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine
PubChem CID164859807
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C14H13BrN2O2S/c15-10-7-13(14(16)17-8-10)9-1-3-11(4-2-9)20(18,19)12-5-6-12/h1-4,7-8,12H,5-6H2,(H2,16,17)
InChIKeyXJAZUYKMAPXPHO-UHFFFAOYSA-N
XLogP3.03
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine 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

5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine
CID 166137832
4-[4-(4-bromophenyl)sulfonylcyclohexyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 175778576
5-bromo-3-[4-(dimethylaminosulfanyl)phenyl]pyridin-2-amine
CID 164859575
5-(2-amino-5-bromo-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 122588308
5-bromo-3-pyridin-3-ylpyridin-2-amine
CID 119084821
5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one
CID 122588307
5-bromo-3-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 118470305
6-(2-amino-5-bromo-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one;hydrobromide
CID 70654795
5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine
CID 158819540
(5-cyclopropylsulfonyl-2-pyridinyl)methanamine;hydrochloride
CID 170902776
4-cyclopropylsulfonylbenzenesulfonyl fluoride
CID 166000908
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine
CID 59471696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine (CID 164859807) is 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine is Nc1ncc(Br)cc1-c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine?
The InChIKey is XJAZUYKMAPXPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-10-7-13(14(16)17-8-10)9-1-3-11(4-2-9)20(18,19)12-5-6-12/h1-4,7-8,12H,5-6H2,(H2,16,17).
What are the key properties of 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine?
5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine has a molecular weight of 353.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-cyclopropylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 164859807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).