3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C19H21N3O3S — CID 57269263

IUPAC3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCCC1CCCc2[nH]c(C=C3C(=O)Nc4ccc(S(N)(=O)=O)cc43)cc21
InChIInChI=1S/C19H21N3O3S/c1-2-11-4-3-5-17-14(11)8-12(21-17)9-16-15-10-13(26(20,24)25)6-7-18(15)22-19(16)23/h6-11,21H,2-5H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyCBFISYXOPFUUEI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.98
Rot. Bonds3

About 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 57269263) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID57269263
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCCC1CCCc2[nH]c(C=C3C(=O)Nc4ccc(S(N)(=O)=O)cc43)cc21
InChIInChI=1S/C19H21N3O3S/c1-2-11-4-3-5-17-14(11)8-12(21-17)9-16-15-10-13(26(20,24)25)6-7-18(15)22-19(16)23/h6-11,21H,2-5H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyCBFISYXOPFUUEI-UHFFFAOYSA-N
XLogP2.98
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57262943
2-[2-[(5-butyl-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-4-yl]acetic acid
CID 57097106
N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 5309
2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57086816
3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57044028
3-[[3-[3-(dimethylamino)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 85154128
(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468994
3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(2-morpholin-4-ylethyl)-1H-indol-2-one
CID 57315504
(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468993
5,6-dimethoxy-3-[(4-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57277702
3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 67114937
(3E)-3-[[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69343405

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 57269263) is 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is CCC1CCCc2[nH]c(C=C3C(=O)Nc4ccc(S(N)(=O)=O)cc43)cc21.
What is the InChIKey of 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is CBFISYXOPFUUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-11-4-3-5-17-14(11)8-12(21-17)9-16-15-10-13(26(20,24)25)6-7-18(15)22-19(16)23/h6-11,21H,2-5H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 57269263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).