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

C15H15N3O2S — CID 4205028

IUPACN-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N3O2S/c19-21(20,18-8-7-14-10-16-11-17-14)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9-11,18H,7-8H2,(H,16,17)
InChIKeyBNPIVLDNPJIRGR-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.08
Rot. Bonds5

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

N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 4205028) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID4205028
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N3O2S/c19-21(20,18-8-7-14-10-16-11-17-14)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9-11,18H,7-8H2,(H,16,17)
InChIKeyBNPIVLDNPJIRGR-UHFFFAOYSA-N
XLogP2.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide (CID 4205028) is N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is BNPIVLDNPJIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-21(20,18-8-7-14-10-16-11-17-14)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9-11,18H,7-8H2,(H,16,17).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 4205028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).