4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one

C20H19ClN4O3S — CID 11112824

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCN1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)6-10-29(27,28)25-9-8-24(20(26)14-25)13-18-11-16-12-22-7-5-19(16)23-18/h1-7,10-12,23H,8-9,13-14H2/b10-6+
InChIKeyUJWDYGUWYIFRRY-UXBLZVDNSA-N
MW430.92 g/mol
LogP2.86
Rot. Bonds5

About 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one

4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one (PubChem CID 11112824) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
PubChem CID11112824
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCN1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)6-10-29(27,28)25-9-8-24(20(26)14-25)13-18-11-16-12-22-7-5-19(16)23-18/h1-7,10-12,23H,8-9,13-14H2/b10-6+
InChIKeyUJWDYGUWYIFRRY-UXBLZVDNSA-N
XLogP2.86
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(6-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
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4-(6-Chlorobenzo[b]thiophene-2-sulfonyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
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CID 11070206
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4-(((1E)-2-(4-Chlorophenyl)ethenyl)sulfonyl)-1-((1-(4-pyridinyl)-4-piperidinyl)methyl)piperazinone
CID 446345
2-[(7-chloroquinolin-4-yl)amino]-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)acetamide
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4-(6-Chloro-thieno[3,2-b]pyridine-2-sulfonyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
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(R)-1-(4-(1H-pyrrolo[3,2-b]pyridin-7-yl)piperazin-1-yl)-2-amino-3-(4-chlorophenyl)propan-1-one
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CID 365597

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one (CID 11112824) is 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one is O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCN1Cc1cc2cnccc2[nH]1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
The InChIKey is UJWDYGUWYIFRRY-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)6-10-29(27,28)25-9-8-24(20(26)14-25)13-18-11-16-12-22-7-5-19(16)23-18/h1-7,10-12,23H,8-9,13-14H2/b10-6+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one has a molecular weight of 430.92 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 11112824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).