4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide

C20H14BrF2N3O3S — CID 42991353

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(F)cccc1F)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H14BrF2N3O3S/c21-14-6-10-16(11-7-14)30(28,29)26-15-8-4-13(5-9-15)20(27)25-24-12-17-18(22)2-1-3-19(17)23/h1-12,26H,(H,25,27)/b24-12+
InChIKeyDZABJPQAGOXYLP-WYMPLXKRSA-N
MW494.32 g/mol
LogP4.29
Rot. Bonds6

About 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide

4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide (PubChem CID 42991353) has the molecular formula C20H14BrF2N3O3S and a molecular weight of 494.32 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide
PubChem CID42991353
Molecular FormulaC20H14BrF2N3O3S
Molecular Weight494.32 g/mol
Exact Mass492.99
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(F)cccc1F)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H14BrF2N3O3S/c21-14-6-10-16(11-7-14)30(28,29)26-15-8-4-13(5-9-15)20(27)25-24-12-17-18(22)2-1-3-19(17)23/h1-12,26H,(H,25,27)/b24-12+
InChIKeyDZABJPQAGOXYLP-WYMPLXKRSA-N
XLogP4.29
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.32
LogP ≤ 54.29
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

4-[(4-bromophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6904569
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2399832
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 136782247
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 135606823
N-[(E)-(2,6-difluorophenyl)methylideneamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 42992107
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide (CID 42991353) is 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide is O=C(N/N=C/c1c(F)cccc1F)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide?
The InChIKey is DZABJPQAGOXYLP-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H14BrF2N3O3S/c21-14-6-10-16(11-7-14)30(28,29)26-15-8-4-13(5-9-15)20(27)25-24-12-17-18(22)2-1-3-19(17)23/h1-12,26H,(H,25,27)/b24-12+.
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide?
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide has a molecular weight of 494.32 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 42991353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).