N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

C18H12Cl3N5O3S — CID 11504010

IUPACN-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)nc1OCc1nc2ccccc2[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H12Cl3N5O3S/c19-10-4-3-7-13(16(10)21)30(27,28)26-17-18(25-14(20)8-22-17)29-9-15-23-11-5-1-2-6-12(11)24-15/h1-8H,9H2,(H,22,26)(H,23,24)
InChIKeyAOOQLTQZKLBGFM-UHFFFAOYSA-N
MW484.75 g/mol
LogP4.69
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (PubChem CID 11504010) has the molecular formula C18H12Cl3N5O3S and a molecular weight of 484.75 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
PubChem CID11504010
Molecular FormulaC18H12Cl3N5O3S
Molecular Weight484.75 g/mol
Exact Mass482.97
IUPAC NameN-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)nc1OCc1nc2ccccc2[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H12Cl3N5O3S/c19-10-4-3-7-13(16(10)21)30(27,28)26-17-18(25-14(20)8-22-17)29-9-15-23-11-5-1-2-6-12(11)24-15/h1-8H,9H2,(H,22,26)(H,23,24)
InChIKeyAOOQLTQZKLBGFM-UHFFFAOYSA-N
XLogP4.69
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.75
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (CID 11504010) is N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is O=S(=O)(Nc1ncc(Cl)nc1OCc1nc2ccccc2[nH]1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is AOOQLTQZKLBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N5O3S/c19-10-4-3-7-13(16(10)21)30(27,28)26-17-18(25-14(20)8-22-17)29-9-15-23-11-5-1-2-6-12(11)24-15/h1-8H,9H2,(H,22,26)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 484.75 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 11504010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).