N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide

C14H13N3O2S2 — CID 71801274

IUPACN-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncc(-c2ccccc2)[nH]1)c1cccs1
InChIInChI=1S/C14H13N3O2S2/c18-21(19,14-7-4-8-20-14)16-10-13-15-9-12(17-13)11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17)
InChIKeyILMXNKPUYRFXTG-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.62
Rot. Bonds5

About N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide

N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 71801274) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID71801274
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncc(-c2ccccc2)[nH]1)c1cccs1
InChIInChI=1S/C14H13N3O2S2/c18-21(19,14-7-4-8-20-14)16-10-13-15-9-12(17-13)11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17)
InChIKeyILMXNKPUYRFXTG-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide (CID 71801274) is N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ncc(-c2ccccc2)[nH]1)c1cccs1.
What is the InChIKey of N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is ILMXNKPUYRFXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c18-21(19,14-7-4-8-20-14)16-10-13-15-9-12(17-13)11-5-2-1-3-6-11/h1-9,16H,10H2,(H,15,17).
What are the key properties of N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide?
N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-imidazol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71801274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).