N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide

C23H16ClN3O3S — CID 91285817

IUPACN-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1=Cc1cc2ccccc2[nH]1
InChIInChI=1S/C23H16ClN3O3S/c24-15-5-3-6-16(11-15)27-31(29,30)18-8-9-22-19(13-18)20(23(28)26-22)12-17-10-14-4-1-2-7-21(14)25-17/h1-13,25,27H,(H,26,28)
InChIKeySNRCAJYWVSOHOS-UHFFFAOYSA-N
MW449.92 g/mol
LogP5.11
Rot. Bonds4

About N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide

N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide (PubChem CID 91285817) has the molecular formula C23H16ClN3O3S and a molecular weight of 449.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
PubChem CID91285817
Molecular FormulaC23H16ClN3O3S
Molecular Weight449.92 g/mol
Exact Mass449.06
IUPAC NameN-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1=Cc1cc2ccccc2[nH]1
InChIInChI=1S/C23H16ClN3O3S/c24-15-5-3-6-16(11-15)27-31(29,30)18-8-9-22-19(13-18)20(23(28)26-22)12-17-10-14-4-1-2-7-21(14)25-17/h1-13,25,27H,(H,26,28)
InChIKeySNRCAJYWVSOHOS-UHFFFAOYSA-N
XLogP5.11
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.92
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
CID 25181820
(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69344265
(3E)-N-(3-methylphenyl)-2-oxo-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 25182217
3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 56988116
2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57086816
3-[(2-fluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57305075
3-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57217571
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57062180
4-methyl-N-[(3Z)-2-oxo-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-5-yl]benzenesulfonamide
CID 166485124
2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57193715

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide (CID 91285817) is N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1=Cc1cc2ccccc2[nH]1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is SNRCAJYWVSOHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3S/c24-15-5-3-6-16(11-15)27-31(29,30)18-8-9-22-19(13-18)20(23(28)26-22)12-17-10-14-4-1-2-7-21(14)25-17/h1-13,25,27H,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 449.92 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 91285817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).