1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide

C12H15N3O3S — CID 103741682

IUPAC1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)c2cccc(O)c2)c1
InChIInChI=1S/C12H15N3O3S/c1-3-15-8-12(13-9-15)19(17,18)14(2)10-5-4-6-11(16)7-10/h4-9,16H,3H2,1-2H3
InChIKeyKVTJEPFVUAREIV-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.43
Rot. Bonds4

About 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide

1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide (PubChem CID 103741682) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide
PubChem CID103741682
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)c2cccc(O)c2)c1
InChIInChI=1S/C12H15N3O3S/c1-3-15-8-12(13-9-15)19(17,18)14(2)10-5-4-6-11(16)7-10/h4-9,16H,3H2,1-2H3
InChIKeyKVTJEPFVUAREIV-UHFFFAOYSA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide (CID 103741682) is 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)c2cccc(O)c2)c1.
What is the InChIKey of 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide?
The InChIKey is KVTJEPFVUAREIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-15-8-12(13-9-15)19(17,18)14(2)10-5-4-6-11(16)7-10/h4-9,16H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide?
1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxyphenyl)-N-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103741682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).