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

C19H17ClN2O5S — CID 4179077

IUPAC1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C19H17ClN2O5S/c20-14-3-1-13(2-4-14)12-22-17-6-5-15(11-16(17)18(23)19(22)24)28(25,26)21-7-9-27-10-8-21/h1-6,11H,7-10,12H2
InChIKeyUIMCHHJXFQAETM-UHFFFAOYSA-N
MW420.87 g/mol
LogP2.09
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione (PubChem CID 4179077) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
PubChem CID4179077
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC Name1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C19H17ClN2O5S/c20-14-3-1-13(2-4-14)12-22-17-6-5-15(11-16(17)18(23)19(22)24)28(25,26)21-7-9-27-10-8-21/h1-6,11H,7-10,12H2
InChIKeyUIMCHHJXFQAETM-UHFFFAOYSA-N
XLogP2.09
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide
CID 126509556
N-(3-acetylphenyl)-4-chloro-3-(morpholin-4-ylsulfonyl)benzamide
CID 1101763
(S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11444079
Isatin sulfonamide, 16a
CID 42618287
1-Methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4614896
(S)-1-(4-Fluorobenzyl)-5-(2-(tetrahydro-2H-pyran-4-yloxymethyl)-pyrrolidine-1-sulfonyl)isatin
CID 25178950
1-[(4-Chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218459
1-[(2,4-Dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218486
Isatin sulfonamide, 9c
CID 42618276
1-Benzyl-5-thiomorpholinosulfonyl Isatin
CID 42618277
1-Methyl-5-((4-methylpiperidin-1-yl)sulfonyl)indoline-2,3-dione
CID 73057089
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-1-(phenylmethyl)-
CID 73057090

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione (CID 4179077) is 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione is O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
The InChIKey is UIMCHHJXFQAETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c20-14-3-1-13(2-4-14)12-22-17-6-5-15(11-16(17)18(23)19(22)24)28(25,26)21-7-9-27-10-8-21/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione?
1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione has a molecular weight of 420.87 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione is sourced from PubChem (CID 4179077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).