N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide

C17H15ClN4O3S — CID 127048849

IUPACN-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide
SMILESC/C(=N\NC(=O)CC#N)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-12(20-21-17(23)10-11-19)13-2-6-15(7-3-13)22-26(24,25)16-8-4-14(18)5-9-16/h2-9,22H,10H2,1H3,(H,21,23)/b20-12+
InChIKeySVDGWGSHWLIFAD-UDWIEESQSA-N
MW390.85 g/mol
LogP2.89
Rot. Bonds6

About N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide

N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide (PubChem CID 127048849) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide
PubChem CID127048849
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide
SMILESC/C(=N\NC(=O)CC#N)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-12(20-21-17(23)10-11-19)13-2-6-15(7-3-13)22-26(24,25)16-8-4-14(18)5-9-16/h2-9,22H,10H2,1H3,(H,21,23)/b20-12+
InChIKeySVDGWGSHWLIFAD-UDWIEESQSA-N
XLogP2.89
TPSA111.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 8022911
N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
CID 124890840
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
2-cyano-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 17069573
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
ethyl N-[(Z)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethylideneamino]carbamate
CID 27876680
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807
2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 5171584
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide (CID 127048849) is N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide is C/C(=N\NC(=O)CC#N)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide?
The InChIKey is SVDGWGSHWLIFAD-UDWIEESQSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-12(20-21-17(23)10-11-19)13-2-6-15(7-3-13)22-26(24,25)16-8-4-14(18)5-9-16/h2-9,22H,10H2,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide?
N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide has a molecular weight of 390.85 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 127048849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).