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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Related Compounds

3-[4-[(4-chlorophenyl)-[2-oxo-2-[2-(2-oxoindol-3-yl)hydrazinyl]ethyl]sulfamoyl]phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 135413562
Oxindole-Based Inhibitor 20
CID 135434965
[(Z)-[5-chloro-1-(2-chloroethyl)-2-oxoindol-3-ylidene]amino]thiourea
CID 794924
1-(3-chlorobenzyl)-1H-indole-2,3-dione 3-oxime
CID 2766824
2-(N-(4-tert-butylphenyl)sulfonyl-4-chloroanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414288
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135438362
2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135438380
2-(4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135508167
Oxindole-Based Inhibitor 72
CID 135434999
(1-Benzyl-5-chloro-2-hydroxyindol-3-yl)iminothiourea
CID 953920
N-(4-methylphenyl)-2-((3Z)-3-{[(4-methylphenyl)sulfonyl]hydrazono}-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide
CID 1098416
1-[[1-[(3-Chlorophenyl)methyl]-2-oxo-3-indolylidene]amino]-3-(2-fluorophenyl)thiourea
CID 4135481

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).