N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide

C11H13N3O3S — CID 20958632

IUPACN-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H13N3O3S/c1-14-7-11(12-8-14)18(15,16)13-9-5-3-4-6-10(9)17-2/h3-8,13H,1-2H3
InChIKeyNLSGMXJPWLAKNN-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.23
Rot. Bonds4

About N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide

N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 20958632) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID20958632
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H13N3O3S/c1-14-7-11(12-8-14)18(15,16)13-9-5-3-4-6-10(9)17-2/h3-8,13H,1-2H3
InChIKeyNLSGMXJPWLAKNN-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-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide (CID 20958632) is N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide is COc1ccccc1NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is NLSGMXJPWLAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-14-7-11(12-8-14)18(15,16)13-9-5-3-4-6-10(9)17-2/h3-8,13H,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide?
N-(2-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-(2-methoxyphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).