N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide

C17H13N5O2S — CID 121135030

IUPACN-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-n2cccn2)ncn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H13N5O2S/c23-25(24,15-7-6-13-4-1-2-5-14(13)10-15)21-16-11-17(19-12-18-16)22-9-3-8-20-22/h1-12H,(H,18,19,21)
InChIKeyBJUKTEOTGGEDDA-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.62
Rot. Bonds4

About N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide

N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide (PubChem CID 121135030) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
PubChem CID121135030
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC NameN-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-n2cccn2)ncn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H13N5O2S/c23-25(24,15-7-6-13-4-1-2-5-14(13)10-15)21-16-11-17(19-12-18-16)22-9-3-8-20-22/h1-12H,(H,18,19,21)
InChIKeyBJUKTEOTGGEDDA-UHFFFAOYSA-N
XLogP2.62
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135064
N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
CID 121135032
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
CID 121134990
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290773
N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135441
3-chloro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309917

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide (CID 121135030) is N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1cc(-n2cccn2)ncn1)c1ccc2ccccc2c1.
What is the InChIKey of N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide?
The InChIKey is BJUKTEOTGGEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-25(24,15-7-6-13-4-1-2-5-14(13)10-15)21-16-11-17(19-12-18-16)22-9-3-8-20-22/h1-12H,(H,18,19,21).
What are the key properties of N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide?
N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 121135030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).