N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide

C23H21N3O2S — CID 11338630

IUPACN-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2c1cnc[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O2S/c27-29(28,18-12-11-16-5-1-2-6-17(16)13-18)26-22-10-4-7-19-20(22)8-3-9-21(19)23-14-24-15-25-23/h1-2,4-7,10-15,21,26H,3,8-9H2,(H,24,25)
InChIKeyYGQHJHASKZGUEH-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.83
Rot. Bonds4

About N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide

N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide (PubChem CID 11338630) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide
PubChem CID11338630
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2c1cnc[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O2S/c27-29(28,18-12-11-16-5-1-2-6-17(16)13-18)26-22-10-4-7-19-20(22)8-3-9-21(19)23-14-24-15-25-23/h1-2,4-7,10-15,21,26H,3,8-9H2,(H,24,25)
InChIKeyYGQHJHASKZGUEH-UHFFFAOYSA-N
XLogP4.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide (CID 11338630) is N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cccc2c1CCCC2c1cnc[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide?
The InChIKey is YGQHJHASKZGUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-29(28,18-12-11-16-5-1-2-6-17(16)13-18)26-22-10-4-7-19-20(22)8-3-9-21(19)23-14-24-15-25-23/h1-2,4-7,10-15,21,26H,3,8-9H2,(H,24,25).
What are the key properties of N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide?
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 11338630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).