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

C19H15N5O3S — CID 122302547

IUPACN-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2)nc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O3S/c25-28(26,18-9-7-16(8-10-18)24-12-4-11-22-24)23-15-13-20-19(21-14-15)27-17-5-2-1-3-6-17/h1-14,23H
InChIKeyPVAMTUJYTHAHTG-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.26
Rot. Bonds6

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

N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122302547) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122302547
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2)nc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O3S/c25-28(26,18-9-7-16(8-10-18)24-12-4-11-22-24)23-15-13-20-19(21-14-15)27-17-5-2-1-3-6-17/h1-14,23H
InChIKeyPVAMTUJYTHAHTG-UHFFFAOYSA-N
XLogP3.26
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122298773
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122317343
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122311802
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
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122307221

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide (CID 122302547) is N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nc1cnc(Oc2ccccc2)nc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is PVAMTUJYTHAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c25-28(26,18-9-7-16(8-10-18)24-12-4-11-22-24)23-15-13-20-19(21-14-15)27-17-5-2-1-3-6-17/h1-14,23H.
What are the key properties of N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 393.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122302547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).