5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide

C21H17N5O2S — CID 175353161

IUPAC5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)c(-c2ccncc2-c2ccc(C#N)c3ccccc23)n1C
InChIInChI=1S/C21H17N5O2S/c1-13-25-21(29(23,27)28)20(26(13)2)18-9-10-24-12-19(18)17-8-7-14(11-22)15-5-3-4-6-16(15)17/h3-10,12H,1-2H3,(H2,23,27,28)
InChIKeyXIVLPSAQZILYRG-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.13
Rot. Bonds3

About 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide

5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 175353161) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID175353161
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)c(-c2ccncc2-c2ccc(C#N)c3ccccc23)n1C
InChIInChI=1S/C21H17N5O2S/c1-13-25-21(29(23,27)28)20(26(13)2)18-9-10-24-12-19(18)17-8-7-14(11-22)15-5-3-4-6-16(15)17/h3-10,12H,1-2H3,(H2,23,27,28)
InChIKeyXIVLPSAQZILYRG-UHFFFAOYSA-N
XLogP3.13
TPSA114.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide (CID 175353161) is 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)c(-c2ccncc2-c2ccc(C#N)c3ccccc23)n1C.
What is the InChIKey of 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is XIVLPSAQZILYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-13-25-21(29(23,27)28)20(26(13)2)18-9-10-24-12-19(18)17-8-7-14(11-22)15-5-3-4-6-16(15)17/h3-10,12H,1-2H3,(H2,23,27,28).
What are the key properties of 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide?
5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 403.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 175353161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).