4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide

C16H15BrFN5O3S — CID 59160591

IUPAC4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide
SMILESCc1ccc(COc2ncc(F)c(NS(=O)(=O)c3c(Br)cnn3C)n2)cc1
InChIInChI=1S/C16H15BrFN5O3S/c1-10-3-5-11(6-4-10)9-26-16-19-8-13(18)14(21-16)22-27(24,25)15-12(17)7-20-23(15)2/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyJJNIMMGMFWFRQA-UHFFFAOYSA-N
MW456.30 g/mol
LogP2.80
Rot. Bonds6

About 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide

4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide (PubChem CID 59160591) has the molecular formula C16H15BrFN5O3S and a molecular weight of 456.30 g/mol. Its IUPAC name is 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide
PubChem CID59160591
Molecular FormulaC16H15BrFN5O3S
Molecular Weight456.30 g/mol
Exact Mass455.01
IUPAC Name4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide
SMILESCc1ccc(COc2ncc(F)c(NS(=O)(=O)c3c(Br)cnn3C)n2)cc1
InChIInChI=1S/C16H15BrFN5O3S/c1-10-3-5-11(6-4-10)9-26-16-19-8-13(18)14(21-16)22-27(24,25)15-12(17)7-20-23(15)2/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyJJNIMMGMFWFRQA-UHFFFAOYSA-N
XLogP2.80
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide (CID 59160591) is 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide is Cc1ccc(COc2ncc(F)c(NS(=O)(=O)c3c(Br)cnn3C)n2)cc1.
What is the InChIKey of 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is JJNIMMGMFWFRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O3S/c1-10-3-5-11(6-4-10)9-26-16-19-8-13(18)14(21-16)22-27(24,25)15-12(17)7-20-23(15)2/h3-8H,9H2,1-2H3,(H,19,21,22).
What are the key properties of 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide?
4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 456.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 59160591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).