N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide

C16H17N5O3S — CID 134262088

IUPACN-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide
SMILESCOc1ccc(CN(c2ccnc(C)n2)S(=O)(=O)n2ccnc2)cc1
InChIInChI=1S/C16H17N5O3S/c1-13-18-8-7-16(19-13)21(25(22,23)20-10-9-17-12-20)11-14-3-5-15(24-2)6-4-14/h3-10,12H,11H2,1-2H3
InChIKeyLDSCHXGJSNBTBI-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.79
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide

N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide (PubChem CID 134262088) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide
PubChem CID134262088
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide
SMILESCOc1ccc(CN(c2ccnc(C)n2)S(=O)(=O)n2ccnc2)cc1
InChIInChI=1S/C16H17N5O3S/c1-13-18-8-7-16(19-13)21(25(22,23)20-10-9-17-12-20)11-14-3-5-15(24-2)6-4-14/h3-10,12H,11H2,1-2H3
InChIKeyLDSCHXGJSNBTBI-UHFFFAOYSA-N
XLogP1.79
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide (CID 134262088) is N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide is COc1ccc(CN(c2ccnc(C)n2)S(=O)(=O)n2ccnc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide?
The InChIKey is LDSCHXGJSNBTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-13-18-8-7-16(19-13)21(25(22,23)20-10-9-17-12-20)11-14-3-5-15(24-2)6-4-14/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide?
N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide is sourced from PubChem (CID 134262088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).