3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide

C14H13N5O3S — CID 121135064

IUPAC3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C14H13N5O3S/c1-22-11-4-2-5-12(8-11)23(20,21)18-13-9-14(16-10-15-13)19-7-3-6-17-19/h2-10H,1H3,(H,15,16,18)
InChIKeyZOEJKZPLKLUGFN-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.47
Rot. Bonds5

About 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide

3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 121135064) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
PubChem CID121135064
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C14H13N5O3S/c1-22-11-4-2-5-12(8-11)23(20,21)18-13-9-14(16-10-15-13)19-7-3-6-17-19/h2-10H,1H3,(H,15,16,18)
InChIKeyZOEJKZPLKLUGFN-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-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
CID 121135032
N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
CID 121135030
4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135011
N-(6-pyrazol-1-ylpyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135031
4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
CID 121134990
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
3-chloro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309917
3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
4-methoxy-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072880
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide (CID 121135064) is 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cc(-n3cccn3)ncn2)c1.
What is the InChIKey of 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is ZOEJKZPLKLUGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-22-11-4-2-5-12(8-11)23(20,21)18-13-9-14(16-10-15-13)19-7-3-6-17-19/h2-10H,1H3,(H,15,16,18).
What are the key properties of 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide 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 3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 121135064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).