N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide

C21H16ClN3O3S — CID 135537733

IUPACN-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
SMILESO=S(=O)(/N=N/c1c(O)n(Cc2ccccc2)c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C21H16ClN3O3S/c22-16-11-12-19-18(13-16)20(21(26)25(19)14-15-7-3-1-4-8-15)23-24-29(27,28)17-9-5-2-6-10-17/h1-13,26H,14H2/b24-23+
InChIKeyMQTSLNRZAXWYBD-WCWDXBQESA-N
MW425.90 g/mol
LogP5.52
Rot. Bonds5

About N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide

N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide (PubChem CID 135537733) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
PubChem CID135537733
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
SMILESO=S(=O)(/N=N/c1c(O)n(Cc2ccccc2)c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C21H16ClN3O3S/c22-16-11-12-19-18(13-16)20(21(26)25(19)14-15-7-3-1-4-8-15)23-24-29(27,28)17-9-5-2-6-10-17/h1-13,26H,14H2/b24-23+
InChIKeyMQTSLNRZAXWYBD-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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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide?
The IUPAC name of N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide (CID 135537733) is N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide is O=S(=O)(/N=N/c1c(O)n(Cc2ccccc2)c2ccc(Cl)cc12)c1ccccc1.
What is the InChIKey of N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide?
The InChIKey is MQTSLNRZAXWYBD-WCWDXBQESA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c22-16-11-12-19-18(13-16)20(21(26)25(19)14-15-7-3-1-4-8-15)23-24-29(27,28)17-9-5-2-6-10-17/h1-13,26H,14H2/b24-23+.
What are the key properties of N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide?
N-(1-benzyl-5-chloro-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-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide is sourced from PubChem (CID 135537733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).