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

C18H15N3O4S2 — CID 135745545

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H15N3O4S2/c22-16-9-3-13(4-10-16)12-19-20-18(23)14-5-7-15(8-6-14)21-27(24,25)17-2-1-11-26-17/h1-12,21-22H,(H,20,23)/b19-12+
InChIKeyZMBKLQBLZKLAED-XDHOZWIPSA-N
MW401.47 g/mol
LogP3.02
Rot. Bonds6

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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 135745545) has the molecular formula C18H15N3O4S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID135745545
Molecular FormulaC18H15N3O4S2
Molecular Weight401.47 g/mol
Exact Mass401.05
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H15N3O4S2/c22-16-9-3-13(4-10-16)12-19-20-18(23)14-5-7-15(8-6-14)21-27(24,25)17-2-1-11-26-17/h1-12,21-22H,(H,20,23)/b19-12+
InChIKeyZMBKLQBLZKLAED-XDHOZWIPSA-N
XLogP3.02
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532
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-[(E)-(3-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18231366
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2355874
[4-[(E)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 6906690
N-[(E)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6902842
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 7392718
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 135745545) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(N/N=C/c1ccc(O)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is ZMBKLQBLZKLAED-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15N3O4S2/c22-16-9-3-13(4-10-16)12-19-20-18(23)14-5-7-15(8-6-14)21-27(24,25)17-2-1-11-26-17/h1-12,21-22H,(H,20,23)/b19-12+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 135745545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).