6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide

C15H20N4O3S — CID 166648188

IUPAC6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccncn2)c(C)nc1C(C)(C)C
InChIInChI=1S/C15H20N4O3S/c1-10-12(8-11(22-5)14(18-10)15(2,3)4)23(20,21)19-13-6-7-16-9-17-13/h6-9H,1-5H3,(H,16,17,19)
InChIKeyXVAAPOSBUHRXHX-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.29
Rot. Bonds4

About 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide

6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide (PubChem CID 166648188) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
PubChem CID166648188
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccncn2)c(C)nc1C(C)(C)C
InChIInChI=1S/C15H20N4O3S/c1-10-12(8-11(22-5)14(18-10)15(2,3)4)23(20,21)19-13-6-7-16-9-17-13/h6-9H,1-5H3,(H,16,17,19)
InChIKeyXVAAPOSBUHRXHX-UHFFFAOYSA-N
XLogP2.29
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 141412020
2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 142722053
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
2,5-dimethoxy-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 6463553
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide
CID 86687550
6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-methyl-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
CID 150893182
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822071
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide (CID 166648188) is 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide is COc1cc(S(=O)(=O)Nc2ccncn2)c(C)nc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The InChIKey is XVAAPOSBUHRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-12(8-11(22-5)14(18-10)15(2,3)4)23(20,21)19-13-6-7-16-9-17-13/h6-9H,1-5H3,(H,16,17,19).
What are the key properties of 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methoxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 166648188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).