N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C20H19N3O3S — CID 69345180

IUPACN,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCc1[nH]c2ccccc2c1C=C1C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C20H19N3O3S/c1-12-15(14-6-4-5-7-18(14)21-12)11-17-16-10-13(27(25,26)23(2)3)8-9-19(16)22-20(17)24/h4-11,21H,1-3H3,(H,22,24)
InChIKeyQWOHQPWRFZHHKV-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.22
Rot. Bonds3

About N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 69345180) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID69345180
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCc1[nH]c2ccccc2c1C=C1C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C20H19N3O3S/c1-12-15(14-6-4-5-7-18(14)21-12)11-17-16-10-13(27(25,26)23(2)3)8-9-19(16)22-20(17)24/h4-11,21H,1-3H3,(H,22,24)
InChIKeyQWOHQPWRFZHHKV-UHFFFAOYSA-N
XLogP3.22
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69344265
(3Z)-3-(1H-imidazol-5-ylmethylidene)-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 177373730
N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 5309
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 59069608
3-[4-(4-chlorophenyl)sulfonyl-2-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid
CID 59986971
(3Z)-5-bromo-3-[(3-methyl-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 22500294
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
2-[5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 58779624
(3E)-3-(1H-indol-3-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979063
1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid
CID 67280994
5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 25181686
ethyl 3,5-dimethyl-4-[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate
CID 15984069

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 69345180) is N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is Cc1[nH]c2ccccc2c1C=C1C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc21.
What is the InChIKey of N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is QWOHQPWRFZHHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-15(14-6-4-5-7-18(14)21-12)11-17-16-10-13(27(25,26)23(2)3)8-9-19(16)22-20(17)24/h4-11,21H,1-3H3,(H,22,24).
What are the key properties of N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 69345180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).