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

C17H20N4O2S — CID 14428544

IUPAC5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCc3cnc[nH]3)cccc12
InChIInChI=1S/C17H20N4O2S/c1-21(2)16-7-3-6-15-14(16)5-4-8-17(15)24(22,23)20-10-9-13-11-18-12-19-13/h3-8,11-12,20H,9-10H2,1-2H3,(H,18,19)
InChIKeyXLFVUIAHSYVKKA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.15
Rot. Bonds6

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

5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 14428544) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID14428544
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCc3cnc[nH]3)cccc12
InChIInChI=1S/C17H20N4O2S/c1-21(2)16-7-3-6-15-14(16)5-4-8-17(15)24(22,23)20-10-9-13-11-18-12-19-13/h3-8,11-12,20H,9-10H2,1-2H3,(H,18,19)
InChIKeyXLFVUIAHSYVKKA-UHFFFAOYSA-N
XLogP2.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide (CID 14428544) is 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCc3cnc[nH]3)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is XLFVUIAHSYVKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-21(2)16-7-3-6-15-14(16)5-4-8-17(15)24(22,23)20-10-9-13-11-18-12-19-13/h3-8,11-12,20H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 14428544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).