N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide

C21H16ClN3O3S — CID 2461663

IUPACN-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
SMILESO=S(=O)(/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H16ClN3O3S/c22-18-12-6-4-8-15(18)14-25-19-13-7-5-11-17(19)20(21(25)26)23-24-29(27,28)16-9-2-1-3-10-16/h1-13,26H,14H2/b24-23+
InChIKeyHTRAGWBEYFTZQR-WCWDXBQESA-N
MW425.90 g/mol
LogP5.52
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide (PubChem CID 2461663) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
PubChem CID2461663
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
SMILESO=S(=O)(/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H16ClN3O3S/c22-18-12-6-4-8-15(18)14-25-19-13-7-5-11-17(19)20(21(25)26)23-24-29(27,28)16-9-2-1-3-10-16/h1-13,26H,14H2/b24-23+
InChIKeyHTRAGWBEYFTZQR-WCWDXBQESA-N
XLogP5.52
TPSA84.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850
N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
CID 135537733
2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
CID 135604198
4-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-3-nitrobenzenesulfonamide
CID 5009056
N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide
CID 135900973
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3769673
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4210172
N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide
CID 1098404
2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172299
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
(3R)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1391208
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide (CID 2461663) is N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide is O=S(=O)(/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide?
The InChIKey is HTRAGWBEYFTZQR-WCWDXBQESA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c22-18-12-6-4-8-15(18)14-25-19-13-7-5-11-17(19)20(21(25)26)23-24-29(27,28)16-9-2-1-3-10-16/h1-13,26H,14H2/b24-23+.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide has a molecular weight of 425.90 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide is sourced from PubChem (CID 2461663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).