2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C20H15ClN4O4S2 — CID 135446051

IUPAC2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C20H15ClN4O4S2/c21-13-7-9-14(10-8-13)25(31(28,29)18-6-3-11-30-18)12-17(26)23-24-19-15-4-1-2-5-16(15)22-20(19)27/h1-11,22,27H,12H2/b24-23+
InChIKeyZGJGTQFYTUOSAX-WCWDXBQESA-N
MW474.95 g/mol
LogP5.09
Rot. Bonds6

About 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 135446051) has the molecular formula C20H15ClN4O4S2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID135446051
Molecular FormulaC20H15ClN4O4S2
Molecular Weight474.95 g/mol
Exact Mass474.02
IUPAC Name2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C20H15ClN4O4S2/c21-13-7-9-14(10-8-13)25(31(28,29)18-6-3-11-30-18)12-17(26)23-24-19-15-4-1-2-5-16(15)22-20(19)27/h1-11,22,27H,12H2/b24-23+
InChIKeyZGJGTQFYTUOSAX-WCWDXBQESA-N
XLogP5.09
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
3-[4-[(4-chlorophenyl)-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]sulfamoyl]phenyl]-N-(3-hydroxypropyl)propanamide
CID 135491819
Glycine, N-phenyl-N-(phenylsulfonyl)-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide (9CI)
CID 1103932
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
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2348381
N-(4-Chloro-2-methylphenyl)-N-({N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)methanesulfonamide
CID 4361779
2-(4-chloro-N-[4-(3-hydroxypropyl)phenyl]sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135530014
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-sulfamoylanilino)acetamide
CID 168286025

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 135446051) is 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is ZGJGTQFYTUOSAX-WCWDXBQESA-N. The full InChI is InChI=1S/C20H15ClN4O4S2/c21-13-7-9-14(10-8-13)25(31(28,29)18-6-3-11-30-18)12-17(26)23-24-19-15-4-1-2-5-16(15)22-20(19)27/h1-11,22,27H,12H2/b24-23+.
What are the key properties of 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 474.95 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-thiophen-2-ylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135446051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).