N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide

C13H15FN4O3S — CID 122319347

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(F)cc2)c(N(C)C)n1
InChIInChI=1S/C13H15FN4O3S/c1-18(2)12-11(8-15-13(16-12)21-3)17-22(19,20)10-6-4-9(14)5-7-10/h4-8,17H,1-3H3
InChIKeyIRMSDHPWUULSQY-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.49
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 122319347) has the molecular formula C13H15FN4O3S and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
PubChem CID122319347
Molecular FormulaC13H15FN4O3S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(F)cc2)c(N(C)C)n1
InChIInChI=1S/C13H15FN4O3S/c1-18(2)12-11(8-15-13(16-12)21-3)17-22(19,20)10-6-4-9(14)5-7-10/h4-8,17H,1-3H3
InChIKeyIRMSDHPWUULSQY-UHFFFAOYSA-N
XLogP1.49
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 122319346
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319541
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide
CID 122319559
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
CID 122319312
N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide
CID 122303990
N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 61051789
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 122319807
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 122320377
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide (CID 122319347) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(F)cc2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is IRMSDHPWUULSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3S/c1-18(2)12-11(8-15-13(16-12)21-3)17-22(19,20)10-6-4-9(14)5-7-10/h4-8,17H,1-3H3.
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 326.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 122319347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).