4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine

C24H23ClN4O5S2 — CID 18541247

IUPAC4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine
SMILESCOc1ccc2c(c1)nc(S(=O)Cc1nccc(N3CCOCC3)c1Cl)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23ClN4O5S2/c1-33-17-7-8-21-19(15-17)27-24(29(21)36(31,32)18-5-3-2-4-6-18)35(30)16-20-23(25)22(9-10-26-20)28-11-13-34-14-12-28/h2-10,15H,11-14,16H2,1H3
InChIKeyPMRMRWGXORDLJH-UHFFFAOYSA-N
MW547.06 g/mol
LogP3.47
Rot. Bonds7

About 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine

4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine (PubChem CID 18541247) has the molecular formula C24H23ClN4O5S2 and a molecular weight of 547.06 g/mol. Its IUPAC name is 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine
PubChem CID18541247
Molecular FormulaC24H23ClN4O5S2
Molecular Weight547.06 g/mol
Exact Mass546.08
IUPAC Name4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine
SMILESCOc1ccc2c(c1)nc(S(=O)Cc1nccc(N3CCOCC3)c1Cl)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23ClN4O5S2/c1-33-17-7-8-21-19(15-17)27-24(29(21)36(31,32)18-5-3-2-4-6-18)35(30)16-20-23(25)22(9-10-26-20)28-11-13-34-14-12-28/h2-10,15H,11-14,16H2,1H3
InChIKeyPMRMRWGXORDLJH-UHFFFAOYSA-N
XLogP3.47
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.06
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine with MolForge

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Related Compounds

CID 69457343
CID 69457343
1-(benzenesulfonyl)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
CID 20583459
4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
CID 11690012
sodium 2-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate
CID 23682524
2-(carboxymethoxy)-5-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid
CID 20786529
2-[4-[2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetic acid
CID 59999615
4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine
CID 91226547
4-methoxy-3-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoate
CID 58999245
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine
CID 68623258
(1S,4R)-1-[[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 67140989
carbon dioxide;2-[4-[5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetic acid;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1-(2-methylphenyl)sulfonylbenzimidazole;2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetic acid
CID 158898493
1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine
CID 59620284

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine (CID 18541247) is 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine is COc1ccc2c(c1)nc(S(=O)Cc1nccc(N3CCOCC3)c1Cl)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine?
The InChIKey is PMRMRWGXORDLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O5S2/c1-33-17-7-8-21-19(15-17)27-24(29(21)36(31,32)18-5-3-2-4-6-18)35(30)16-20-23(25)22(9-10-26-20)28-11-13-34-14-12-28/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine?
4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine has a molecular weight of 547.06 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine is sourced from PubChem (CID 18541247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).