6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide

C20H19Cl2N3O4S — CID 13370602

IUPAC6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1CCN(Cc3ccc(Cl)cc3)CC1)C2=O
InChIInChI=1S/C20H19Cl2N3O4S/c21-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-19(26)15-9-17(22)18(30(23,28)29)10-16(15)20(25)27/h1-4,9-10,14H,5-8,11H2,(H2,23,28,29)
InChIKeyLGHCQPXZHLFIHJ-UHFFFAOYSA-N
MW468.36 g/mol
LogP2.90
Rot. Bonds4

About 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide

6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 13370602) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide
PubChem CID13370602
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC Name6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1CCN(Cc3ccc(Cl)cc3)CC1)C2=O
InChIInChI=1S/C20H19Cl2N3O4S/c21-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-19(26)15-9-17(22)18(30(23,28)29)10-16(15)20(25)27/h1-4,9-10,14H,5-8,11H2,(H2,23,28,29)
InChIKeyLGHCQPXZHLFIHJ-UHFFFAOYSA-N
XLogP2.90
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide (CID 13370602) is 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1CCN(Cc3ccc(Cl)cc3)CC1)C2=O.
What is the InChIKey of 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is LGHCQPXZHLFIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c21-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-19(26)15-9-17(22)18(30(23,28)29)10-16(15)20(25)27/h1-4,9-10,14H,5-8,11H2,(H2,23,28,29).
What are the key properties of 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide?
6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 468.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 13370602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).