2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide

C23H21N3O4S — CID 177376969

IUPAC2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(c(-c3cccnc3)c1)NC(=O)C2=C(C)C
InChIInChI=1S/C23H21N3O4S/c1-14(2)21-18-12-16(26-31(28,29)20-9-5-4-8-19(20)30-3)11-17(22(18)25-23(21)27)15-7-6-10-24-13-15/h4-13,26H,1-3H3,(H,25,27)
InChIKeyACJKVKCUGDHGGQ-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.30
Rot. Bonds5

About 2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide

2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide (PubChem CID 177376969) 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-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
PubChem CID177376969
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc2c(c(-c3cccnc3)c1)NC(=O)C2=C(C)C
InChIInChI=1S/C23H21N3O4S/c1-14(2)21-18-12-16(26-31(28,29)20-9-5-4-8-19(20)30-3)11-17(22(18)25-23(21)27)15-7-6-10-24-13-15/h4-13,26H,1-3H3,(H,25,27)
InChIKeyACJKVKCUGDHGGQ-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'}

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Related Compounds

N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CID 16215971
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
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
5-Dimethylamino-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide
CID 44309879
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
1-(4-Methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole
CID 66757545

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide (CID 177376969) is 2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc2c(c(-c3cccnc3)c1)NC(=O)C2=C(C)C.
What is the InChIKey of 2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is ACJKVKCUGDHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-14(2)21-18-12-16(26-31(28,29)20-9-5-4-8-19(20)30-3)11-17(22(18)25-23(21)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-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide?
2-methoxy-N-(2-oxo-3-propan-2-ylidene-7-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-7-pyridin-3-yl-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 177376969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).