N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide

C15H20FN3O2S — CID 18314036

IUPACN-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
SMILESO=S(=O)(CCCCCc1cnc[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2S/c16-14-7-5-13(6-8-14)10-19-22(20,21)9-3-1-2-4-15-11-17-12-18-15/h5-8,11-12,19H,1-4,9-10H2,(H,17,18)
InChIKeyBUJZAIUFHBQXNB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.38
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide

N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide (PubChem CID 18314036) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
PubChem CID18314036
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
SMILESO=S(=O)(CCCCCc1cnc[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2S/c16-14-7-5-13(6-8-14)10-19-22(20,21)9-3-1-2-4-15-11-17-12-18-15/h5-8,11-12,19H,1-4,9-10H2,(H,17,18)
InChIKeyBUJZAIUFHBQXNB-UHFFFAOYSA-N
XLogP2.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide (CID 18314036) is N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide is O=S(=O)(CCCCCc1cnc[nH]1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
The InChIKey is BUJZAIUFHBQXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c16-14-7-5-13(6-8-14)10-19-22(20,21)9-3-1-2-4-15-11-17-12-18-15/h5-8,11-12,19H,1-4,9-10H2,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(1H-imidazol-5-yl)pentane-1-sulfonamide is sourced from PubChem (CID 18314036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).