1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide

C10H14N4O4S3 — CID 62373470

IUPAC1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)cn1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H14N4O4S3/c1-7(8-3-4-10(19-8)20(11,15)16)13-21(17,18)9-5-14(2)6-12-9/h3-7,13H,1-2H3,(H2,11,15,16)
InChIKeyVDVCIMBRCWRSLZ-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.17
Rot. Bonds5

About 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide

1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 62373470) has the molecular formula C10H14N4O4S3 and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide
PubChem CID62373470
Molecular FormulaC10H14N4O4S3
Molecular Weight350.45 g/mol
Exact Mass350.02
IUPAC Name1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)cn1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H14N4O4S3/c1-7(8-3-4-10(19-8)20(11,15)16)13-21(17,18)9-5-14(2)6-12-9/h3-7,13H,1-2H3,(H2,11,15,16)
InChIKeyVDVCIMBRCWRSLZ-UHFFFAOYSA-N
XLogP0.17
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide (CID 62373470) is 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide is CC(NS(=O)(=O)c1cn(C)cn1)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is VDVCIMBRCWRSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S3/c1-7(8-3-4-10(19-8)20(11,15)16)13-21(17,18)9-5-14(2)6-12-9/h3-7,13H,1-2H3,(H2,11,15,16).
What are the key properties of 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide?
1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 62373470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).