2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide

C23H21N3O4S — CID 177376972

IUPAC2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cccnc1)NC(=O)C2=C(C)C
InChIInChI=1S/C23H21N3O4S/c1-14(2)22-17-12-19(26-31(28,29)21-9-5-4-8-20(21)30-3)16(11-18(17)25-23(22)27)15-7-6-10-24-13-15/h4-13,26H,1-3H3,(H,25,27)
InChIKeyYZZHVYRXYPYUSK-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.30
Rot. Bonds5

About 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide

2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide (PubChem CID 177376972) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
PubChem CID177376972
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cccnc1)NC(=O)C2=C(C)C
InChIInChI=1S/C23H21N3O4S/c1-14(2)22-17-12-19(26-31(28,29)21-9-5-4-8-20(21)30-3)16(11-18(17)25-23(22)27)15-7-6-10-24-13-15/h4-13,26H,1-3H3,(H,25,27)
InChIKeyYZZHVYRXYPYUSK-UHFFFAOYSA-N
XLogP4.30
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CID 16215971
N-[3-(4-Benzenesulfonylaminocarbonyl-2-methoxy-benzyl)-1-methyl-1H-indol-5-yl]-2-cyclopentyl-acetamide
CID 14626819
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390930
3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390939
3-(1,3-benzodioxol-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390989
2-methoxy-N-(2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)benzenesulfonamide
CID 155513363
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 2595507
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16293946
N-(4-ethoxy-3-morpholinosulfonyl-phenyl)-3-pyrrol-1-yl-benzamide
CID 16318005
N-(4-methoxy-3-sulfamoylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 4846116
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 2414409
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390967

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide (CID 177376972) is 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cccnc1)NC(=O)C2=C(C)C.
What is the InChIKey of 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is YZZHVYRXYPYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-14(2)22-17-12-19(26-31(28,29)21-9-5-4-8-20(21)30-3)16(11-18(17)25-23(22)27)15-7-6-10-24-13-15/h4-13,26H,1-3H3,(H,25,27).
What are the key properties of 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 177376972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).