N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide

C13H15N3O2S — CID 3241700

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1cnc[nH]1
InChIInChI=1S/C13H15N3O2S/c17-19(18,13-8-14-9-15-13)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,16H,3,5,7H2,(H,14,15)
InChIKeyXVKNGECHSIITJO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.77
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide (PubChem CID 3241700) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide
PubChem CID3241700
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1cnc[nH]1
InChIInChI=1S/C13H15N3O2S/c17-19(18,13-8-14-9-15-13)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,16H,3,5,7H2,(H,14,15)
InChIKeyXVKNGECHSIITJO-UHFFFAOYSA-N
XLogP1.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide (CID 3241700) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide is O=S(=O)(NC1CCCc2ccccc21)c1cnc[nH]1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is XVKNGECHSIITJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-19(18,13-8-14-9-15-13)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,16H,3,5,7H2,(H,14,15).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3241700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).