(3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide

C24H23ClN4O4S — CID 25182495

IUPAC(3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
SMILESCCCCc1nc(C=O)c(Cl)n1/C=C1\C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C24H23ClN4O4S/c1-3-4-8-22-26-21(14-30)23(25)29(22)13-19-18-12-17(9-10-20(18)27-24(19)31)34(32,33)28-16-7-5-6-15(2)11-16/h5-7,9-14,28H,3-4,8H2,1-2H3,(H,27,31)/b19-13-
InChIKeyBIPHRNKQMALVGN-UYRXBGFRSA-N
MW498.99 g/mol
LogP4.75
Rot. Bonds8

About (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide (PubChem CID 25182495) has the molecular formula C24H23ClN4O4S and a molecular weight of 498.99 g/mol. Its IUPAC name is (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
PubChem CID25182495
Molecular FormulaC24H23ClN4O4S
Molecular Weight498.99 g/mol
Exact Mass498.11
IUPAC Name(3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
SMILESCCCCc1nc(C=O)c(Cl)n1/C=C1\C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C24H23ClN4O4S/c1-3-4-8-22-26-21(14-30)23(25)29(22)13-19-18-12-17(9-10-20(18)27-24(19)31)34(32,33)28-16-7-5-6-15(2)11-16/h5-7,9-14,28H,3-4,8H2,1-2H3,(H,27,31)/b19-13-
InChIKeyBIPHRNKQMALVGN-UYRXBGFRSA-N
XLogP4.75
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-(3-methylphenyl)-2-oxo-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 25182217
(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
CID 25181820
N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
CID 91285817
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281899
4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747612
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
2-oxo-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 56974219
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide (CID 25182495) is (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide is CCCCc1nc(C=O)c(Cl)n1/C=C1\C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc21.
What is the InChIKey of (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is BIPHRNKQMALVGN-UYRXBGFRSA-N. The full InChI is InChI=1S/C24H23ClN4O4S/c1-3-4-8-22-26-21(14-30)23(25)29(22)13-19-18-12-17(9-10-20(18)27-24(19)31)34(32,33)28-16-7-5-6-15(2)11-16/h5-7,9-14,28H,3-4,8H2,1-2H3,(H,27,31)/b19-13-.
What are the key properties of (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 498.99 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-butyl-5-chloro-4-formylimidazol-1-yl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 25182495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).