N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide

C16H15BrClN3O3S — CID 92684863

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15BrClN3O3S/c1-25(23,24)21(15-5-3-2-4-14(15)18)11-16(22)20-19-10-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3,(H,20,22)/b19-10-
InChIKeyCTVBBGTWHVFQAN-GRSHGNNSSA-N
MW444.74 g/mol
LogP3.02
Rot. Bonds6

About N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide

N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide (PubChem CID 92684863) has the molecular formula C16H15BrClN3O3S and a molecular weight of 444.74 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide
PubChem CID92684863
Molecular FormulaC16H15BrClN3O3S
Molecular Weight444.74 g/mol
Exact Mass442.97
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15BrClN3O3S/c1-25(23,24)21(15-5-3-2-4-14(15)18)11-16(22)20-19-10-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3,(H,20,22)/b19-10-
InChIKeyCTVBBGTWHVFQAN-GRSHGNNSSA-N
XLogP3.02
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

2-(2-chloro-N-methylsulfonylanilino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 92684892
2-(2-chloro-N-methylsulfonylanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 92660771
N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126033666
2-(2-bromo-N-methylsulfonylanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3909371
2-(2-chloro-N-methylsulfonylanilino)-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126191518
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 126189881
2-(N-methylsulfonylanilino)-N-[(E)-[4-[(E)-[[2-(N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 16761126
2-(2-bromo-N-methylsulfonylanilino)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 4688244
methyl 2-[3-[(Z)-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94838374
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
CID 43879754
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92644288
2-(2-bromo-N-methylsulfonylanilino)-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 92661124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide (CID 92684863) is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide?
The InChIKey is CTVBBGTWHVFQAN-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H15BrClN3O3S/c1-25(23,24)21(15-5-3-2-4-14(15)18)11-16(22)20-19-10-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide has a molecular weight of 444.74 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 92684863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).