N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide

C14H14N4O2S — CID 4619893

IUPACN-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cccc2cccnc12
InChIInChI=1S/C14H14N4O2S/c19-21(20,18-8-6-12-9-15-10-17-12)13-5-1-3-11-4-2-7-16-14(11)13/h1-5,7,9-10,18H,6,8H2,(H,15,17)
InChIKeyBSLZWNBGURVJPZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide (PubChem CID 4619893) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
PubChem CID4619893
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cccc2cccnc12
InChIInChI=1S/C14H14N4O2S/c19-21(20,18-8-6-12-9-15-10-17-12)13-5-1-3-11-4-2-7-16-14(11)13/h1-5,7,9-10,18H,6,8H2,(H,15,17)
InChIKeyBSLZWNBGURVJPZ-UHFFFAOYSA-N
XLogP1.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
N-butylquinoline-8-sulfonamide
CID 2068304
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
2,3-dichloro-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615086
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
CID 78996081
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide (CID 4619893) is N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1cccc2cccnc12.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide?
The InChIKey is BSLZWNBGURVJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-21(20,18-8-6-12-9-15-10-17-12)13-5-1-3-11-4-2-7-16-14(11)13/h1-5,7,9-10,18H,6,8H2,(H,15,17).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 4619893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).