(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C17H16N2O3S — CID 94468994

IUPAC(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCc1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1C
InChIInChI=1S/C17H16N2O3S/c1-10-3-4-12(7-11(10)2)8-15-14-9-13(23(18,21)22)5-6-16(14)19-17(15)20/h3-9H,1-2H3,(H,19,20)(H2,18,21,22)/b15-8+
InChIKeyVOIAHFHXBDGMFB-OVCLIPMQSA-N
MW328.39 g/mol
LogP2.44
Rot. Bonds2

About (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide

(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 94468994) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID94468994
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCc1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1C
InChIInChI=1S/C17H16N2O3S/c1-10-3-4-12(7-11(10)2)8-15-14-9-13(23(18,21)22)5-6-16(14)19-17(15)20/h3-9H,1-2H3,(H,19,20)(H2,18,21,22)/b15-8+
InChIKeyVOIAHFHXBDGMFB-OVCLIPMQSA-N
XLogP2.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3E)-3-[(3-nitro-4-propan-2-ylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512255
(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468993
methyl 2-[4-[(E)-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)methyl]phenoxy]propanoate
CID 166217975
3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57044028
(3E)-3-[(7-methoxy-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512254
3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 67114937
(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 60512344
3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
CID 71245897
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-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
(3E)-3-[(3-hydrazinyl-4-methylphenyl)methylidene]-5-(trifluoromethoxy)-1H-indol-2-one
CID 143823052

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 94468994) is (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide is Cc1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1C.
What is the InChIKey of (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is VOIAHFHXBDGMFB-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10-3-4-12(7-11(10)2)8-15-14-9-13(23(18,21)22)5-6-16(14)19-17(15)20/h3-9H,1-2H3,(H,19,20)(H2,18,21,22)/b15-8+.
What are the key properties of (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 94468994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).