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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Related Compounds

5-(1-naphthalen-1-ylpropyl)-1H-imidazole
CID 10657471
1-(biphenyl-4-ylsulfonyl)-4-(1H-imidazol-2-yl)piperidine
CID 44565847
N-(2,4-dimethylpentan-3-yl)-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 11743386
N-(2,4-dimethylpentan-3-yl)-N-(1H-imidazol-5-ylmethyl)-4-phenylbenzenesulfonamide
CID 44325295
[(2-imidazol-4-ylethyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 395829
(2-Imidazol-4-ylethyl)[(4-methylphenyl)sulfonyl]amine
CID 4130487
4-tert-Butyl-N-[4-(1H-imidazol-4-yl)-butyl]-benzenesulfonamide
CID 10359599
1-(3H-Imidazol-4-ylmethyl)-4-(naphthalene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
CID 10549950
Monodansyl-Histamin
CID 14428544
N-[4-(1H-Imidazol-4-yl)-butyl]-C-phenyl-methanesulfonamide
CID 44308825
4-((1H-imidazol-2-yl)methyl)-1-(biphenyl-4-ylsulfonyl)piperidine
CID 44565848
N-[2-(1H-imidazol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 3530294

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).