N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide

C21H16N4O3S — CID 44507700

IUPACN-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccn1
InChIInChI=1S/C21H16N4O3S/c26-21(19-11-6-7-13-22-19)24-23-14-16-15-25(20-12-5-4-10-18(16)20)29(27,28)17-8-2-1-3-9-17/h1-15H,(H,24,26)/b23-14+
InChIKeyMYXUJTYQSHKKJE-OEAKJJBVSA-N
MW404.45 g/mol
LogP3.04
Rot. Bonds5

About N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide

N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide (PubChem CID 44507700) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide
PubChem CID44507700
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC NameN-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccn1
InChIInChI=1S/C21H16N4O3S/c26-21(19-11-6-7-13-22-19)24-23-14-16-15-25(20-12-5-4-10-18(16)20)29(27,28)17-8-2-1-3-9-17/h1-15H,(H,24,26)/b23-14+
InChIKeyMYXUJTYQSHKKJE-OEAKJJBVSA-N
XLogP3.04
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 139220768
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 126004518
N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
CID 177413509
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
methyl (E)-3-[1-(benzenesulfonyl)indol-3-yl]prop-2-enoate
CID 13163106
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
CID 177472748
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide (CID 44507700) is N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccn1.
What is the InChIKey of N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is MYXUJTYQSHKKJE-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H16N4O3S/c26-21(19-11-6-7-13-22-19)24-23-14-16-15-25(20-12-5-4-10-18(16)20)29(27,28)17-8-2-1-3-9-17/h1-15H,(H,24,26)/b23-14+.
What are the key properties of N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide?
N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 44507700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).