2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C31H25N3O4S — CID 137101844

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C31H25N3O4S/c35-30-20-19-24-13-7-8-16-26(24)28(30)21-32-33-31(36)27-17-9-10-18-29(27)34(22-23-11-3-1-4-12-23)39(37,38)25-14-5-2-6-15-25/h1-21,35H,22H2,(H,33,36)/b32-21-
InChIKeyUIMWBXFRGPHENH-QXPFVDMISA-N
MW535.63 g/mol
LogP5.70
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 137101844) has the molecular formula C31H25N3O4S and a molecular weight of 535.63 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID137101844
Molecular FormulaC31H25N3O4S
Molecular Weight535.63 g/mol
Exact Mass535.16
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C31H25N3O4S/c35-30-20-19-24-13-7-8-16-26(24)28(30)21-32-33-31(36)27-17-9-10-18-29(27)34(22-23-11-3-1-4-12-23)39(37,38)25-14-5-2-6-15-25/h1-21,35H,22H2,(H,33,36)/b32-21-
InChIKeyUIMWBXFRGPHENH-QXPFVDMISA-N
XLogP5.70
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137101847
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 43878954
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43878959
N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide
CID 137151306
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide
CID 3518058
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137162618
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 43878970
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 137101844) is 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is UIMWBXFRGPHENH-QXPFVDMISA-N. The full InChI is InChI=1S/C31H25N3O4S/c35-30-20-19-24-13-7-8-16-26(24)28(30)21-32-33-31(36)27-17-9-10-18-29(27)34(22-23-11-3-1-4-12-23)39(37,38)25-14-5-2-6-15-25/h1-21,35H,22H2,(H,33,36)/b32-21-.
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 535.63 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 137101844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).