1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione

C19H16Cl2N2O5S — CID 42618276

IUPAC1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C19H16Cl2N2O5S/c20-15-3-1-12(9-16(15)21)11-23-17-4-2-13(10-14(17)18(24)19(23)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2
InChIKeyHXVBMQXTZCPQKT-UHFFFAOYSA-N
MW455.32 g/mol
LogP2.74
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione

1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione (PubChem CID 42618276) has the molecular formula C19H16Cl2N2O5S and a molecular weight of 455.32 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
PubChem CID42618276
Molecular FormulaC19H16Cl2N2O5S
Molecular Weight455.32 g/mol
Exact Mass454.02
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C19H16Cl2N2O5S/c20-15-3-1-12(9-16(15)21)11-23-17-4-2-13(10-14(17)18(24)19(23)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2
InChIKeyHXVBMQXTZCPQKT-UHFFFAOYSA-N
XLogP2.74
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3,4-Dichlorophenyl)methyl]-2-oxo-5-piperidin-1-ylsulfonylindol-3-ylidene]propanedinitrile
CID 42618280
2-[1-[(3,4-Dichlorophenyl)methyl]-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene]propanedinitrile
CID 42618283
1-Methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4614896
1-[(4-Chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218459
1-[(2,4-Dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218486
1-Benzyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4378077
N-[(4-chlorophenyl)methyl]-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
CID 5309052
N-[1-(3,4-dichlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 24980508
1-[(3,4-Dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 166625316
1-(Phenylmethyl)-5-(1-piperidinylsulfonyl)-1H-indole-2,3-dione
CID 42624533
5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 73056465
N-[(4-chlorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 24981093

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione (CID 42618276) is 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione is O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The InChIKey is HXVBMQXTZCPQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O5S/c20-15-3-1-12(9-16(15)21)11-23-17-4-2-13(10-14(17)18(24)19(23)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione has a molecular weight of 455.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione is sourced from PubChem (CID 42618276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).