N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide

C13H14N4O2S — CID 62981552

IUPACN-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cn1C
InChIInChI=1S/C13H14N4O2S/c1-10-15-13(9-16(10)2)20(18,19)17(3)12-6-4-11(8-14)5-7-12/h4-7,9H,1-3H3
InChIKeyGYNMVKXAEWQMGM-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.43
Rot. Bonds3

About N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide

N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 62981552) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID62981552
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cn1C
InChIInChI=1S/C13H14N4O2S/c1-10-15-13(9-16(10)2)20(18,19)17(3)12-6-4-11(8-14)5-7-12/h4-7,9H,1-3H3
InChIKeyGYNMVKXAEWQMGM-UHFFFAOYSA-N
XLogP1.43
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide (CID 62981552) is N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cn1C.
What is the InChIKey of N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is GYNMVKXAEWQMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-10-15-13(9-16(10)2)20(18,19)17(3)12-6-4-11(8-14)5-7-12/h4-7,9H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide?
N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62981552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).