N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide

C14H19N3O4S — CID 167969086

IUPACN-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C14H19N3O4S/c1-5-17-9-14(15-10-17)22(18,19)16(2)11-6-12(20-3)8-13(7-11)21-4/h6-10H,5H2,1-4H3
InChIKeyMXEKJENZQYDKLK-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.75
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide

N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide (PubChem CID 167969086) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide
PubChem CID167969086
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C14H19N3O4S/c1-5-17-9-14(15-10-17)22(18,19)16(2)11-6-12(20-3)8-13(7-11)21-4/h6-10H,5H2,1-4H3
InChIKeyMXEKJENZQYDKLK-UHFFFAOYSA-N
XLogP1.75
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide (CID 167969086) is N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
The InChIKey is MXEKJENZQYDKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-5-17-9-14(15-10-17)22(18,19)16(2)11-6-12(20-3)8-13(7-11)21-4/h6-10H,5H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide?
N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide is sourced from PubChem (CID 167969086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).