N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C18H14ClN3O3S2 — CID 18206532

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H14ClN3O3S2/c19-15-7-3-13(4-8-15)12-20-21-18(23)14-5-9-16(10-6-14)22-27(24,25)17-2-1-11-26-17/h1-12,22H,(H,21,23)/b20-12+
InChIKeyHEVYAHZBSYGPOX-UDWIEESQSA-N
MW419.92 g/mol
LogP3.97
Rot. Bonds6

About N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 18206532) has the molecular formula C18H14ClN3O3S2 and a molecular weight of 419.92 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID18206532
Molecular FormulaC18H14ClN3O3S2
Molecular Weight419.92 g/mol
Exact Mass419.02
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H14ClN3O3S2/c19-15-7-3-13(4-8-15)12-20-21-18(23)14-5-9-16(10-6-14)22-27(24,25)17-2-1-11-26-17/h1-12,22H,(H,21,23)/b20-12+
InChIKeyHEVYAHZBSYGPOX-UDWIEESQSA-N
XLogP3.97
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 135745545
N-[(4-tert-butylphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2382657
N-[(4-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2370561
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6904011
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
N-[(E)-(3-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18231366
[4-[(E)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 6906690
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2355874
N-[(E)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6902842
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 4586395

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 18206532) is N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is HEVYAHZBSYGPOX-UDWIEESQSA-N. The full InChI is InChI=1S/C18H14ClN3O3S2/c19-15-7-3-13(4-8-15)12-20-21-18(23)14-5-9-16(10-6-14)22-27(24,25)17-2-1-11-26-17/h1-12,22H,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 419.92 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 18206532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).