N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide

C12H15N3O3S — CID 20938154

IUPACN-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H15N3O3S/c1-2-18-11-6-4-3-5-10(11)7-15-19(16,17)12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
InChIKeyGNOJLZYXBMOXJU-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.29
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide

N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 20938154) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID20938154
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H15N3O3S/c1-2-18-11-6-4-3-5-10(11)7-15-19(16,17)12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
InChIKeyGNOJLZYXBMOXJU-UHFFFAOYSA-N
XLogP1.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide (CID 20938154) is N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide is CCOc1ccccc1CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is GNOJLZYXBMOXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-18-11-6-4-3-5-10(11)7-15-19(16,17)12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide?
N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 20938154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).