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

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Related Compounds

2,3-dichloro-N-[5-chloro-3-[(6-methoxy-3-pyridinyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 10288760
CID 88884945
CID 88884945
N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 59168194
N-[5-bromo-3-[(Z)-4-methoxy-2-methylbut-3-enoxy]pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide;ethane
CID 142264030
2-chloro-N-[3-[1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 87386004
2,3-dichloro-N-[3-(2,4-dimethylpentan-3-yloxy)quinoxalin-2-yl]benzenesulfonamide
CID 67403098
2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide
CID 67402273
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
CID 59018424
N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 63563544
2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 69421245

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).