N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide

C15H15N5O4S — CID 121135249

IUPACN-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-n3ccnc3)ncn2)c(OC)c1
InChIInChI=1S/C15H15N5O4S/c1-23-11-3-4-13(12(7-11)24-2)25(21,22)19-14-8-15(18-9-17-14)20-6-5-16-10-20/h3-10H,1-2H3,(H,17,18,19)
InChIKeyWURKBVUNUDOBEF-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.48
Rot. Bonds6

About N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide

N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 121135249) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide
PubChem CID121135249
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC NameN-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-n3ccnc3)ncn2)c(OC)c1
InChIInChI=1S/C15H15N5O4S/c1-23-11-3-4-13(12(7-11)24-2)25(21,22)19-14-8-15(18-9-17-14)20-6-5-16-10-20/h3-10H,1-2H3,(H,17,18,19)
InChIKeyWURKBVUNUDOBEF-UHFFFAOYSA-N
XLogP1.48
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821777
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
N-(6-imidazol-1-ylpyrimidin-4-yl)thiophene-2-sulfonamide
CID 121135238
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,4-dimethoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312584
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
2,5-dimethoxy-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308110
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-methylbenzenesulfonamide
CID 121074106
2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121074115
2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide (CID 121135249) is N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-n3ccnc3)ncn2)c(OC)c1.
What is the InChIKey of N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is WURKBVUNUDOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c1-23-11-3-4-13(12(7-11)24-2)25(21,22)19-14-8-15(18-9-17-14)20-6-5-16-10-20/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide?
N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 361.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 121135249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).