N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide

C18H21N5O2S — CID 58217156

IUPACN-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2ncn(-c3cncc(CC(C)(C)C)n3)c2c1
InChIInChI=1S/C18H21N5O2S/c1-5-26(24,25)22-13-6-7-15-16(8-13)23(12-20-15)17-11-19-10-14(21-17)9-18(2,3)4/h5-8,10-12,22H,1,9H2,2-4H3
InChIKeyJKUDGPZODGDHNC-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.29
Rot. Bonds5

About N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide

N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide (PubChem CID 58217156) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide
PubChem CID58217156
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2ncn(-c3cncc(CC(C)(C)C)n3)c2c1
InChIInChI=1S/C18H21N5O2S/c1-5-26(24,25)22-13-6-7-15-16(8-13)23(12-20-15)17-11-19-10-14(21-17)9-18(2,3)4/h5-8,10-12,22H,1,9H2,2-4H3
InChIKeyJKUDGPZODGDHNC-UHFFFAOYSA-N
XLogP3.29
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide?
The IUPAC name of N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide (CID 58217156) is N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide.
What is the SMILES notation for N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide?
The canonical SMILES for N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc2ncn(-c3cncc(CC(C)(C)C)n3)c2c1.
What is the InChIKey of N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide?
The InChIKey is JKUDGPZODGDHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-5-26(24,25)22-13-6-7-15-16(8-13)23(12-20-15)17-11-19-10-14(21-17)9-18(2,3)4/h5-8,10-12,22H,1,9H2,2-4H3.
What are the key properties of N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide?
N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide has a molecular weight of 371.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide is sourced from PubChem (CID 58217156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).