N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide

C11H13N3O3S — CID 2821590

IUPACN-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C11H13N3O3S/c1-14-7-11(12-8-14)18(15,16)13-9-3-5-10(17-2)6-4-9/h3-8,13H,1-2H3
InChIKeyZYLRYGWPYDSHDI-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.23
Rot. Bonds4

About N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide

N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 2821590) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID2821590
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C11H13N3O3S/c1-14-7-11(12-8-14)18(15,16)13-9-3-5-10(17-2)6-4-9/h3-8,13H,1-2H3
InChIKeyZYLRYGWPYDSHDI-UHFFFAOYSA-N
XLogP1.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide (CID 2821590) is N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is ZYLRYGWPYDSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-14-7-11(12-8-14)18(15,16)13-9-3-5-10(17-2)6-4-9/h3-8,13H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 2821590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).