N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide

C17H23N3O3S — CID 697666

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(C)nc(N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N3O3S/c1-12(2)11-20(17-18-14(4)10-16(19-17)23-5)24(21,22)15-8-6-13(3)7-9-15/h6-10,12H,11H2,1-5H3
InChIKeyLTRAOZPXVBYBRA-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.95
Rot. Bonds6

About N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 697666) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID697666
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(C)nc(N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N3O3S/c1-12(2)11-20(17-18-14(4)10-16(19-17)23-5)24(21,22)15-8-6-13(3)7-9-15/h6-10,12H,11H2,1-5H3
InChIKeyLTRAOZPXVBYBRA-UHFFFAOYSA-N
XLogP2.95
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-[2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-ethyl]-2,5-dimethyl-benzenesulfonamide
CID 648848
Methyl {(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)[(4-methylphenyl)sulfonyl]amino}acetate
CID 658043
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(prop-2-en-1-yl)benzenesulfonamide
CID 1118002
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 658027
2,5-dimethyl-N-[2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 659847
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 1114632
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
2-chloro-N-(4-methoxy-6-methyl-2-pyrimidinyl)-N-methylbenzenesulfonamide
CID 658041
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-4-methyl-benzenesulfonamide
CID 767952

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 697666) is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide is COc1cc(C)nc(N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LTRAOZPXVBYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(2)11-20(17-18-14(4)10-16(19-17)23-5)24(21,22)15-8-6-13(3)7-9-15/h6-10,12H,11H2,1-5H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 697666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).