[2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone

C32H25Cl2N3O2S3 — CID 164940702

IUPAC[2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(C(Sc2ccccc2)=C2C=CC(Sc3ccc(Cl)cc3)=N2)[nH]c1Sc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C32H25Cl2N3O2S3/c33-21-6-10-24(11-7-21)40-29-15-14-27(35-29)30(41-23-4-2-1-3-5-23)28-20-26(32(38)37-16-18-39-19-17-37)31(36-28)42-25-12-8-22(34)9-13-25/h1-15,20,36H,16-19H2
InChIKeyNXFMEOLTUWXSBS-UHFFFAOYSA-N
MW650.68 g/mol
LogP9.17
Rot. Bonds7

About [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone

[2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone (PubChem CID 164940702) has the molecular formula C32H25Cl2N3O2S3 and a molecular weight of 650.68 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
PubChem CID164940702
Molecular FormulaC32H25Cl2N3O2S3
Molecular Weight650.68 g/mol
Exact Mass649.05
IUPAC Name[2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(C(Sc2ccccc2)=C2C=CC(Sc3ccc(Cl)cc3)=N2)[nH]c1Sc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C32H25Cl2N3O2S3/c33-21-6-10-24(11-7-21)40-29-15-14-27(35-29)30(41-23-4-2-1-3-5-23)28-20-26(32(38)37-16-18-39-19-17-37)31(36-28)42-25-12-8-22(34)9-13-25/h1-15,20,36H,16-19H2
InChIKeyNXFMEOLTUWXSBS-UHFFFAOYSA-N
XLogP9.17
TPSA57.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.68
LogP ≤ 59.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone (CID 164940702) is [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(C(Sc2ccccc2)=C2C=CC(Sc3ccc(Cl)cc3)=N2)[nH]c1Sc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NXFMEOLTUWXSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25Cl2N3O2S3/c33-21-6-10-24(11-7-21)40-29-15-14-27(35-29)30(41-23-4-2-1-3-5-23)28-20-26(32(38)37-16-18-39-19-17-37)31(36-28)42-25-12-8-22(34)9-13-25/h1-15,20,36H,16-19H2.
What are the key properties of [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
[2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 650.68 g/mol, XLogP of 9.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 164940702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).