N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide

C20H16ClN3O3S — CID 4132126

IUPACN-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3O3S/c21-17-8-12-19(13-9-17)28(26,27)24-18-10-6-16(7-11-18)20(25)23-22-14-15-4-2-1-3-5-15/h1-14,24H,(H,23,25)
InChIKeyCUGWHVSEKJYFIT-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.90
Rot. Bonds6

About N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide

N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 4132126) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID4132126
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC NameN-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3O3S/c21-17-8-12-19(13-9-17)28(26,27)24-18-10-6-16(7-11-18)20(25)23-22-14-15-4-2-1-3-5-15/h1-14,24H,(H,23,25)
InChIKeyCUGWHVSEKJYFIT-UHFFFAOYSA-N
XLogP3.90
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 4586395
N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
CID 4301325
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 6283870
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 45055049
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 4225717
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6021387
[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 6036795

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide (CID 4132126) is N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(NN=Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is CUGWHVSEKJYFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c21-17-8-12-19(13-9-17)28(26,27)24-18-10-6-16(7-11-18)20(25)23-22-14-15-4-2-1-3-5-15/h1-14,24H,(H,23,25).
What are the key properties of N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide?
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 413.89 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4132126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).