N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide

C18H15ClN4O4S — CID 10502154

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
SMILESCN1C(=O)N/C(=C\c2ccc(S(=O)(=O)N/N=C/c3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C18H15ClN4O4S/c1-23-17(24)16(21-18(23)25)10-12-4-8-15(9-5-12)28(26,27)22-20-11-13-2-6-14(19)7-3-13/h2-11,22H,1H3,(H,21,25)/b16-10-,20-11+
InChIKeyGVCNRBDZOFGMFZ-YPWBLNBHSA-N
MW418.86 g/mol
LogP2.17
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide

N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide (PubChem CID 10502154) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
PubChem CID10502154
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
SMILESCN1C(=O)N/C(=C\c2ccc(S(=O)(=O)N/N=C/c3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C18H15ClN4O4S/c1-23-17(24)16(21-18(23)25)10-12-4-8-15(9-5-12)28(26,27)22-20-11-13-2-6-14(19)7-3-13/h2-11,22H,1H3,(H,21,25)/b16-10-,20-11+
InChIKeyGVCNRBDZOFGMFZ-YPWBLNBHSA-N
XLogP2.17
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
CID 5009121
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 4167006
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135716267
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide (CID 10502154) is N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide is CN1C(=O)N/C(=C\c2ccc(S(=O)(=O)N/N=C/c3ccc(Cl)cc3)cc2)C1=O.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide?
The InChIKey is GVCNRBDZOFGMFZ-YPWBLNBHSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c1-23-17(24)16(21-18(23)25)10-12-4-8-15(9-5-12)28(26,27)22-20-11-13-2-6-14(19)7-3-13/h2-11,22H,1H3,(H,21,25)/b16-10-,20-11+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide has a molecular weight of 418.86 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide is sourced from PubChem (CID 10502154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).