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

C27H22N4O4S — CID 135414270

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H22N4O4S/c1-18-13-15-20(16-14-18)31(36(34,35)24-12-6-8-19-7-2-3-9-21(19)24)17-25(32)29-30-26-22-10-4-5-11-23(22)28-27(26)33/h2-16,28,33H,17H2,1H3/b30-29+
InChIKeyFZCQIPXHTWPXEA-QVIHXGFCSA-N
MW498.56 g/mol
LogP5.84
Rot. Bonds6

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide (PubChem CID 135414270) has the molecular formula C27H22N4O4S and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide
PubChem CID135414270
Molecular FormulaC27H22N4O4S
Molecular Weight498.56 g/mol
Exact Mass498.14
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H22N4O4S/c1-18-13-15-20(16-14-18)31(36(34,35)24-12-6-8-19-7-2-3-9-21(19)24)17-25(32)29-30-26-22-10-4-5-11-23(22)28-27(26)33/h2-16,28,33H,17H2,1H3/b30-29+
InChIKeyFZCQIPXHTWPXEA-QVIHXGFCSA-N
XLogP5.84
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.56
LogP ≤ 55.84
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 N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide (CID 135414270) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide?
The InChIKey is FZCQIPXHTWPXEA-QVIHXGFCSA-N. The full InChI is InChI=1S/C27H22N4O4S/c1-18-13-15-20(16-14-18)31(36(34,35)24-12-6-8-19-7-2-3-9-21(19)24)17-25(32)29-30-26-22-10-4-5-11-23(22)28-27(26)33/h2-16,28,33H,17H2,1H3/b30-29+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide has a molecular weight of 498.56 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 135414270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).