2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide

C22H22N4O4S — CID 177376970

IUPAC2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cnn(C)c1)NC(=O)C2=C(C)C
InChIInChI=1S/C22H22N4O4S/c1-13(2)21-16-10-18(25-31(28,29)20-8-6-5-7-19(20)30-4)15(9-17(16)24-22(21)27)14-11-23-26(3)12-14/h5-12,25H,1-4H3,(H,24,27)
InChIKeyXXMJCPJGXOKDLZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.64
Rot. Bonds5

About 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide

2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide (PubChem CID 177376970) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide
PubChem CID177376970
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cnn(C)c1)NC(=O)C2=C(C)C
InChIInChI=1S/C22H22N4O4S/c1-13(2)21-16-10-18(25-31(28,29)20-8-6-5-7-19(20)30-4)15(9-17(16)24-22(21)27)14-11-23-26(3)12-14/h5-12,25H,1-4H3,(H,24,27)
InChIKeyXXMJCPJGXOKDLZ-UHFFFAOYSA-N
XLogP3.64
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155518530
2-methoxy-N-[2-methyl-6-(1-methylpyrazol-4-yl)-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
CID 155519805
N-[4-(1-benzylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155523212
2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide
CID 155524426
4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155530564
4-chloro-2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide
CID 155550228
N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155564565
3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
CID 32610219
5-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155519105
2-methoxy-N-[7-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide
CID 177376968
2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
CID 177376969
2-methoxy-N-(2-oxo-3-propan-2-ylidene-6-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
CID 177376972

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide (CID 177376970) is 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc2c(cc1-c1cnn(C)c1)NC(=O)C2=C(C)C.
What is the InChIKey of 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is XXMJCPJGXOKDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-13(2)21-16-10-18(25-31(28,29)20-8-6-5-7-19(20)30-4)15(9-17(16)24-22(21)27)14-11-23-26(3)12-14/h5-12,25H,1-4H3,(H,24,27).
What are the key properties of 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide?
2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 438.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 177376970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).