4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C11H10BrN3O2S — CID 6465698

IUPAC4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15)
InChIKeyBXPWTHAOSBQAKK-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.35
Rot. Bonds3

About 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 6465698) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID6465698
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15)
InChIKeyBXPWTHAOSBQAKK-UHFFFAOYSA-N
XLogP2.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 6465698) is 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is BXPWTHAOSBQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 6465698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).