N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide

C16H17N3O2S2 — CID 71789028

IUPACN-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1-c1ccccc1)c1cccs1
InChIInChI=1S/C16H17N3O2S2/c20-23(21,15-8-4-13-22-15)18-9-5-11-19-12-10-17-16(19)14-6-2-1-3-7-14/h1-4,6-8,10,12-13,18H,5,9,11H2
InChIKeyTXPGLRBIUYCGLY-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.98
Rot. Bonds7

About N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide

N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 71789028) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID71789028
Molecular FormulaC16H17N3O2S2
Molecular Weight347.46 g/mol
Exact Mass347.08
IUPAC NameN-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1-c1ccccc1)c1cccs1
InChIInChI=1S/C16H17N3O2S2/c20-23(21,15-8-4-13-22-15)18-9-5-11-19-12-10-17-16(19)14-6-2-1-3-7-14/h1-4,6-8,10,12-13,18H,5,9,11H2
InChIKeyTXPGLRBIUYCGLY-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide (CID 71789028) is N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1cccs1.
What is the InChIKey of N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is TXPGLRBIUYCGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c20-23(21,15-8-4-13-22-15)18-9-5-11-19-12-10-17-16(19)14-6-2-1-3-7-14/h1-4,6-8,10,12-13,18H,5,9,11H2.
What are the key properties of N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 347.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylimidazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71789028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).