N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide

C19H23N3O2S — CID 10021248

IUPACN-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCCCCc1cnc[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O2S/c23-25(24,19-11-10-16-7-4-5-8-17(16)13-19)22-12-6-2-1-3-9-18-14-20-15-21-18/h4-5,7-8,10-11,13-15,22H,1-3,6,9,12H2,(H,20,21)
InChIKeyVUAQDQKFMONHOQ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.64
Rot. Bonds9

About N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide

N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide (PubChem CID 10021248) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide
PubChem CID10021248
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCCCCc1cnc[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O2S/c23-25(24,19-11-10-16-7-4-5-8-17(16)13-19)22-12-6-2-1-3-9-18-14-20-15-21-18/h4-5,7-8,10-11,13-15,22H,1-3,6,9,12H2,(H,20,21)
InChIKeyVUAQDQKFMONHOQ-UHFFFAOYSA-N
XLogP3.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.64
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-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide (CID 10021248) is N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCCCCc1cnc[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide?
The InChIKey is VUAQDQKFMONHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-25(24,19-11-10-16-7-4-5-8-17(16)13-19)22-12-6-2-1-3-9-18-14-20-15-21-18/h4-5,7-8,10-11,13-15,22H,1-3,6,9,12H2,(H,20,21).
What are the key properties of N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide?
N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10021248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).