4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

C19H14ClN5O3S — CID 122309687

IUPAC4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN5O3S/c20-14-2-8-17(9-3-14)29(26,27)24-15-4-6-16(7-5-15)28-19-12-18(21-13-22-19)25-11-1-10-23-25/h1-13,24H
InChIKeySEXXYHJDWPSWOQ-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.91
Rot. Bonds6

About 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122309687) has the molecular formula C19H14ClN5O3S and a molecular weight of 427.87 g/mol. Its IUPAC name is 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
PubChem CID122309687
Molecular FormulaC19H14ClN5O3S
Molecular Weight427.87 g/mol
Exact Mass427.05
IUPAC Name4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN5O3S/c20-14-2-8-17(9-3-14)29(26,27)24-15-4-6-16(7-5-15)28-19-12-18(21-13-22-19)25-11-1-10-23-25/h1-13,24H
InChIKeySEXXYHJDWPSWOQ-UHFFFAOYSA-N
XLogP3.91
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
3-chloro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309917
1-(3-chlorophenyl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]methanesulfonamide
CID 122309912
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122311802
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309116
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
N-[5-[[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122309910
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (CID 122309687) is 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is SEXXYHJDWPSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3S/c20-14-2-8-17(9-3-14)29(26,27)24-15-4-6-16(7-5-15)28-19-12-18(21-13-22-19)25-11-1-10-23-25/h1-13,24H.
What are the key properties of 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 427.87 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122309687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).