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

C24H21ClN4O5S — CID 135466581

IUPAC2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O5S/c1-2-34-18-11-13-19(14-12-18)35(32,33)29(17-9-7-16(25)8-10-17)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3/b28-27+
InChIKeyMNPVUCMEPWUCSH-BYYHNAKLSA-N
MW512.98 g/mol
LogP5.43
Rot. Bonds8

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

2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 135466581) has the molecular formula C24H21ClN4O5S and a molecular weight of 512.98 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID135466581
Molecular FormulaC24H21ClN4O5S
Molecular Weight512.98 g/mol
Exact Mass512.09
IUPAC Name2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O5S/c1-2-34-18-11-13-19(14-12-18)35(32,33)29(17-9-7-16(25)8-10-17)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3/b28-27+
InChIKeyMNPVUCMEPWUCSH-BYYHNAKLSA-N
XLogP5.43
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.98
LogP ≤ 55.43
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 135466581) is 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is MNPVUCMEPWUCSH-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H21ClN4O5S/c1-2-34-18-11-13-19(14-12-18)35(32,33)29(17-9-7-16(25)8-10-17)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3/b28-27+.
What are the key properties of 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 512.98 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135466581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).