4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine

C18H18ClN3O3S — CID 43813836

IUPAC4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)n1c(CN2CCOCC2)nc2ccccc21
InChIInChI=1S/C18H18ClN3O3S/c19-14-5-7-15(8-6-14)26(23,24)22-17-4-2-1-3-16(17)20-18(22)13-21-9-11-25-12-10-21/h1-8H,9-13H2
InChIKeyLHGUTILZEBEREC-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.76
Rot. Bonds4

About 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine

4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine (PubChem CID 43813836) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
PubChem CID43813836
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)n1c(CN2CCOCC2)nc2ccccc21
InChIInChI=1S/C18H18ClN3O3S/c19-14-5-7-15(8-6-14)26(23,24)22-17-4-2-1-3-16(17)20-18(22)13-21-9-11-25-12-10-21/h1-8H,9-13H2
InChIKeyLHGUTILZEBEREC-UHFFFAOYSA-N
XLogP2.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine (CID 43813836) is 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine is O=S(=O)(c1ccc(Cl)cc1)n1c(CN2CCOCC2)nc2ccccc21.
What is the InChIKey of 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
The InChIKey is LHGUTILZEBEREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c19-14-5-7-15(8-6-14)26(23,24)22-17-4-2-1-3-16(17)20-18(22)13-21-9-11-25-12-10-21/h1-8H,9-13H2.
What are the key properties of 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine has a molecular weight of 391.88 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 43813836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).