5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide

C13H15BrN4O3S — CID 25206724

IUPAC5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1nc(N)ncc1-c1ccc(Br)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C13H15BrN4O3S/c1-8-10(7-16-13(15)18-8)9-2-3-11(14)12(6-9)22(20,21)17-4-5-19/h2-3,6-7,17,19H,4-5H2,1H3,(H2,15,16,18)
InChIKeyUOIPYPRJDMYJPY-UHFFFAOYSA-N
MW387.26 g/mol
LogP1.07
Rot. Bonds5

About 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide

5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 25206724) has the molecular formula C13H15BrN4O3S and a molecular weight of 387.26 g/mol. Its IUPAC name is 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID25206724
Molecular FormulaC13H15BrN4O3S
Molecular Weight387.26 g/mol
Exact Mass386.00
IUPAC Name5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1nc(N)ncc1-c1ccc(Br)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C13H15BrN4O3S/c1-8-10(7-16-13(15)18-8)9-2-3-11(14)12(6-9)22(20,21)17-4-5-19/h2-3,6-7,17,19H,4-5H2,1H3,(H2,15,16,18)
InChIKeyUOIPYPRJDMYJPY-UHFFFAOYSA-N
XLogP1.07
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide (CID 25206724) is 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide is Cc1nc(N)ncc1-c1ccc(Br)c(S(=O)(=O)NCCO)c1.
What is the InChIKey of 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is UOIPYPRJDMYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O3S/c1-8-10(7-16-13(15)18-8)9-2-3-11(14)12(6-9)22(20,21)17-4-5-19/h2-3,6-7,17,19H,4-5H2,1H3,(H2,15,16,18).
What are the key properties of 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 387.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 25206724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).