4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide

C20H16BrN3O3S — CID 6076061

IUPAC4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1Br)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrN3O3S/c21-19-9-5-4-6-16(19)14-22-23-20(25)15-10-12-17(13-11-15)24-28(26,27)18-7-2-1-3-8-18/h1-14,24H,(H,23,25)/b22-14-
InChIKeyOJXNKVDNQQQMAE-HMAPJEAMSA-N
MW458.34 g/mol
LogP4.01
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide

4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide (PubChem CID 6076061) has the molecular formula C20H16BrN3O3S and a molecular weight of 458.34 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
PubChem CID6076061
Molecular FormulaC20H16BrN3O3S
Molecular Weight458.34 g/mol
Exact Mass457.01
IUPAC Name4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1Br)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrN3O3S/c21-19-9-5-4-6-16(19)14-22-23-20(25)15-10-12-17(13-11-15)24-28(26,27)18-7-2-1-3-8-18/h1-14,24H,(H,23,25)/b22-14-
InChIKeyOJXNKVDNQQQMAE-HMAPJEAMSA-N
XLogP4.01
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 54.01
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-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6904569
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 135606823
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834
4-(benzenesulfonamido)-N-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 4287720
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135606019
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 6283870

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide (CID 6076061) is 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccccc1Br)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide?
The InChIKey is OJXNKVDNQQQMAE-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H16BrN3O3S/c21-19-9-5-4-6-16(19)14-22-23-20(25)15-10-12-17(13-11-15)24-28(26,27)18-7-2-1-3-8-18/h1-14,24H,(H,23,25)/b22-14-.
What are the key properties of 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide has a molecular weight of 458.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6076061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).