N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide

C22H16Cl4N4O5S — CID 126372619

IUPACN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C22H16Cl4N4O5S/c23-15-4-7-17(8-5-15)36(34,35)29(12-18-20(25)2-1-3-21(18)26)13-22(31)28-27-11-14-10-16(30(32)33)6-9-19(14)24/h1-11H,12-13H2,(H,28,31)/b27-11-
InChIKeyKQRVRUAPTLBUHZ-BCHBDCPOSA-N
MW590.27 g/mol
LogP5.55
Rot. Bonds9

About N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide (PubChem CID 126372619) has the molecular formula C22H16Cl4N4O5S and a molecular weight of 590.27 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
PubChem CID126372619
Molecular FormulaC22H16Cl4N4O5S
Molecular Weight590.27 g/mol
Exact Mass587.96
IUPAC NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C22H16Cl4N4O5S/c23-15-4-7-17(8-5-15)36(34,35)29(12-18-20(25)2-1-3-21(18)26)13-22(31)28-27-11-14-10-16(30(32)33)6-9-19(14)24/h1-11H,12-13H2,(H,28,31)/b27-11-
InChIKeyKQRVRUAPTLBUHZ-BCHBDCPOSA-N
XLogP5.55
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.27
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126377097
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 126058782
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 126376798
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 126068222
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 94847357
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126014004
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 126068059
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 3964836
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 126191320
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(N-methylsulfonylanilino)acetamide
CID 6876829
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126067077
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 4679421

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
The IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide (CID 126372619) is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide is O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
The InChIKey is KQRVRUAPTLBUHZ-BCHBDCPOSA-N. The full InChI is InChI=1S/C22H16Cl4N4O5S/c23-15-4-7-17(8-5-15)36(34,35)29(12-18-20(25)2-1-3-21(18)26)13-22(31)28-27-11-14-10-16(30(32)33)6-9-19(14)24/h1-11H,12-13H2,(H,28,31)/b27-11-.
What are the key properties of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide has a molecular weight of 590.27 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 126372619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).