N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide

C12H15N3O2S — CID 4124220

IUPACN-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H15N3O2S/c1-3-15(11-6-4-5-10(2)7-11)18(16,17)12-8-13-9-14-12/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeySJTJFSDZWKOLLB-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide

N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide (PubChem CID 4124220) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
PubChem CID4124220
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H15N3O2S/c1-3-15(11-6-4-5-10(2)7-11)18(16,17)12-8-13-9-14-12/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeySJTJFSDZWKOLLB-UHFFFAOYSA-N
XLogP1.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide (CID 4124220) is N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide?
The InChIKey is SJTJFSDZWKOLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-15(11-6-4-5-10(2)7-11)18(16,17)12-8-13-9-14-12/h4-9H,3H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide?
N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 4124220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).