N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide

C14H13N5O3S — CID 122301720

IUPACN-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C14H13N5O3S/c1-22-14-15-9-11(10-16-14)18-23(20,21)13-5-3-12(4-6-13)19-8-2-7-17-19/h2-10,18H,1H3
InChIKeyPZDWNIQAEIZUGL-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.47
Rot. Bonds5

About N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122301720) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122301720
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC NameN-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C14H13N5O3S/c1-22-14-15-9-11(10-16-14)18-23(20,21)13-5-3-12(4-6-13)19-8-2-7-17-19/h2-10,18H,1H3
InChIKeyPZDWNIQAEIZUGL-UHFFFAOYSA-N
XLogP1.47
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122302547
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122298773
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
4-[(2-methoxyphenyl)sulfamoyl]-N-(4-pyrazol-1-ylphenyl)benzamide
CID 39463274
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122317343
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide (CID 122301720) is N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is PZDWNIQAEIZUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-22-14-15-9-11(10-16-14)18-23(20,21)13-5-3-12(4-6-13)19-8-2-7-17-19/h2-10,18H,1H3.
What are the key properties of N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122301720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).