2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C22H17ClN4O4S — CID 135438362

IUPAC2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H17ClN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13,24,29H,14H2/b26-25+
InChIKeyZAPRPYSDJMLCGH-OCEACIFDSA-N
MW468.92 g/mol
LogP5.03
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 135438362) has the molecular formula C22H17ClN4O4S and a molecular weight of 468.92 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID135438362
Molecular FormulaC22H17ClN4O4S
Molecular Weight468.92 g/mol
Exact Mass468.07
IUPAC Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H17ClN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13,24,29H,14H2/b26-25+
InChIKeyZAPRPYSDJMLCGH-OCEACIFDSA-N
XLogP5.03
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 55.03
H-Bond Donors ≤ 52
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 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 135438362) is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is ZAPRPYSDJMLCGH-OCEACIFDSA-N. The full InChI is InChI=1S/C22H17ClN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13,24,29H,14H2/b26-25+.
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 468.92 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135438362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).