N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide

C19H18N2O4S — CID 162648154

IUPACN-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=C1CCC1)C(=O)N2
InChIInChI=1S/C19H18N2O4S/c1-25-16-7-2-3-8-17(16)26(23,24)21-13-9-10-15-14(11-13)18(19(22)20-15)12-5-4-6-12/h2-3,7-11,21H,4-6H2,1H3,(H,20,22)
InChIKeyLLSXFAYHKCYEDY-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.39
Rot. Bonds4

About N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide

N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 162648154) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID162648154
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=C1CCC1)C(=O)N2
InChIInChI=1S/C19H18N2O4S/c1-25-16-7-2-3-8-17(16)26(23,24)21-13-9-10-15-14(11-13)18(19(22)20-15)12-5-4-6-12/h2-3,7-11,21H,4-6H2,1H3,(H,20,22)
InChIKeyLLSXFAYHKCYEDY-UHFFFAOYSA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide (CID 162648154) is N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=C1CCC1)C(=O)N2.
What is the InChIKey of N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is LLSXFAYHKCYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-25-16-7-2-3-8-17(16)26(23,24)21-13-9-10-15-14(11-13)18(19(22)20-15)12-5-4-6-12/h2-3,7-11,21H,4-6H2,1H3,(H,20,22).
What are the key properties of N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide?
N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 162648154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).