N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide

C11H14ClN3O3S2 — CID 91631055

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cn(C)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O3S2/c1-15-6-11(13-7-15)20(16,17)14-5-8(18-2)9-3-4-10(12)19-9/h3-4,6-8,14H,5H2,1-2H3
InChIKeyFNCLZOGIWBDUEQ-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 91631055) has the molecular formula C11H14ClN3O3S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
PubChem CID91631055
Molecular FormulaC11H14ClN3O3S2
Molecular Weight335.84 g/mol
Exact Mass335.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cn(C)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O3S2/c1-15-6-11(13-7-15)20(16,17)14-5-8(18-2)9-3-4-10(12)19-9/h3-4,6-8,14H,5H2,1-2H3
InChIKeyFNCLZOGIWBDUEQ-UHFFFAOYSA-N
XLogP1.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide (CID 91631055) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide is COC(CNS(=O)(=O)c1cn(C)cn1)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is FNCLZOGIWBDUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S2/c1-15-6-11(13-7-15)20(16,17)14-5-8(18-2)9-3-4-10(12)19-9/h3-4,6-8,14H,5H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 335.84 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 91631055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).