1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

C23H24Cl2N2O4S — CID 5067405

IUPAC1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1C(=CC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C23H24Cl2N2O4S/c1-23(2)16-6-4-5-7-19(16)26(3)22(23)14-20(28)15-12-21(18(25)13-17(15)24)32(29,30)27-8-10-31-11-9-27/h4-7,12-14H,8-11H2,1-3H3
InChIKeyREXJCXFSHSQLIN-UHFFFAOYSA-N
MW495.43 g/mol
LogP4.51
Rot. Bonds4

About 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (PubChem CID 5067405) has the molecular formula C23H24Cl2N2O4S and a molecular weight of 495.43 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.

Molecular Properties

Compound Name1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
PubChem CID5067405
Molecular FormulaC23H24Cl2N2O4S
Molecular Weight495.43 g/mol
Exact Mass494.08
IUPAC Name1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1C(=CC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C23H24Cl2N2O4S/c1-23(2)16-6-4-5-7-19(16)26(3)22(23)14-20(28)15-12-21(18(25)13-17(15)24)32(29,30)27-8-10-31-11-9-27/h4-7,12-14H,8-11H2,1-3H3
InChIKeyREXJCXFSHSQLIN-UHFFFAOYSA-N
XLogP4.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-morpholin-4-ylsulfonyl-N-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethanethioyl]benzamide
CID 2423053
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2642129
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
(3Z)-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 56526157
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride
CID 53347329
(3E)-1-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 16585819
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 75394614
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The IUPAC name of 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (CID 5067405) is 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.
What is the SMILES notation for 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The canonical SMILES for 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is CN1C(=CC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C(C)(C)c2ccccc21.
What is the InChIKey of 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The InChIKey is REXJCXFSHSQLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O4S/c1-23(2)16-6-4-5-7-19(16)26(3)22(23)14-20(28)15-12-21(18(25)13-17(15)24)32(29,30)27-8-10-31-11-9-27/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone has a molecular weight of 495.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is sourced from PubChem (CID 5067405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).