2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C24H18ClN3O4S — CID 135683070

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN3O4S/c25-17-10-12-18(13-11-17)33(31,32)28-22-8-4-3-7-20(22)24(30)27-26-15-21-19-6-2-1-5-16(19)9-14-23(21)29/h1-15,28-29H,(H,27,30)/b26-15+
InChIKeyDTNAZOATSYCQLH-CVKSISIWSA-N
MW479.95 g/mol
LogP4.76
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135683070) has the molecular formula C24H18ClN3O4S and a molecular weight of 479.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135683070
Molecular FormulaC24H18ClN3O4S
Molecular Weight479.95 g/mol
Exact Mass479.07
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN3O4S/c25-17-10-12-18(13-11-17)33(31,32)28-22-8-4-3-7-20(22)24(30)27-26-15-21-19-6-2-1-5-16(19)9-14-23(21)29/h1-15,28-29H,(H,27,30)/b26-15+
InChIKeyDTNAZOATSYCQLH-CVKSISIWSA-N
XLogP4.76
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.76
H-Bond Donors ≤ 53
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

[1-[[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3331599
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136897219
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 6009778
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137101847
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 6283942
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135683070) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is DTNAZOATSYCQLH-CVKSISIWSA-N. The full InChI is InChI=1S/C24H18ClN3O4S/c25-17-10-12-18(13-11-17)33(31,32)28-22-8-4-3-7-20(22)24(30)27-26-15-21-19-6-2-1-5-16(19)9-14-23(21)29/h1-15,28-29H,(H,27,30)/b26-15+.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 479.95 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135683070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).