3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione

C20H24ClN3O4S — CID 11235967

IUPAC3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24ClN3O4S/c21-17-18(22-11-3-1-4-12-22)20(26)24(19(17)25)15-7-9-16(10-8-15)29(27,28)23-13-5-2-6-14-23/h7-10H,1-6,11-14H2
InChIKeyBRVCWPTVSATIJK-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.67
Rot. Bonds4

About 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione

3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione (PubChem CID 11235967) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione
PubChem CID11235967
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24ClN3O4S/c21-17-18(22-11-3-1-4-12-22)20(26)24(19(17)25)15-7-9-16(10-8-15)29(27,28)23-13-5-2-6-14-23/h7-10H,1-6,11-14H2
InChIKeyBRVCWPTVSATIJK-UHFFFAOYSA-N
XLogP2.67
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)benzenesulfonamide
CID 123022109
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
4-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]benzonitrile
CID 55703622
1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 42652125
3-chloro-4-(4-chlorophenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584051
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
CID 126478456

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione (CID 11235967) is 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione?
The InChIKey is BRVCWPTVSATIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c21-17-18(22-11-3-1-4-12-22)20(26)24(19(17)25)15-7-9-16(10-8-15)29(27,28)23-13-5-2-6-14-23/h7-10H,1-6,11-14H2.
What are the key properties of 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione?
3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione has a molecular weight of 437.95 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-piperidin-1-yl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 11235967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).