N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide

C19H23N5O3S — CID 166351087

IUPACN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1
InChIInChI=1S/C19H23N5O3S/c1-13-7-8-14(27-5)15(11-13)28(25,26)23-17-12-16(19(2,3)4)22-24(17)18-20-9-6-10-21-18/h6-12,23H,1-5H3
InChIKeyMSQJTCJSQCLDPI-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.08
Rot. Bonds5

About N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 166351087) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID166351087
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1
InChIInChI=1S/C19H23N5O3S/c1-13-7-8-14(27-5)15(11-13)28(25,26)23-17-12-16(19(2,3)4)22-24(17)18-20-9-6-10-21-18/h6-12,23H,1-5H3
InChIKeyMSQJTCJSQCLDPI-UHFFFAOYSA-N
XLogP3.08
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 166351100
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 166351087) is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1.
What is the InChIKey of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is MSQJTCJSQCLDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13-7-8-14(27-5)15(11-13)28(25,26)23-17-12-16(19(2,3)4)22-24(17)18-20-9-6-10-21-18/h6-12,23H,1-5H3.
What are the key properties of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 166351087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).