N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide

C15H14FIN2O2S — CID 88570108

IUPACN-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc(I)ccc1F
InChIInChI=1S/C15H14FIN2O2S/c1-10-3-6-13(7-4-10)22(20,21)19-18-11(2)14-9-12(17)5-8-15(14)16/h3-9,19H,1-2H3/b18-11+
InChIKeyLURPJJGIFBUBQE-WOJGMQOQSA-N
MW432.26 g/mol
LogP3.44
Rot. Bonds4

About N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide

N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 88570108) has the molecular formula C15H14FIN2O2S and a molecular weight of 432.26 g/mol. Its IUPAC name is N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide
PubChem CID88570108
Molecular FormulaC15H14FIN2O2S
Molecular Weight432.26 g/mol
Exact Mass431.98
IUPAC NameN-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc(I)ccc1F
InChIInChI=1S/C15H14FIN2O2S/c1-10-3-6-13(7-4-10)22(20,21)19-18-11(2)14-9-12(17)5-8-15(14)16/h3-9,19H,1-2H3/b18-11+
InChIKeyLURPJJGIFBUBQE-WOJGMQOQSA-N
XLogP3.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(4-ethylpiperazin-1-yl)-(2-fluoro-5-iodophenyl)methylidene]amino]-4-methylbenzenesulfonamide
CID 88570156
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
CID 91408660
(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride
CID 170607858
4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide (CID 88570108) is N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc(I)ccc1F.
What is the InChIKey of N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is LURPJJGIFBUBQE-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H14FIN2O2S/c1-10-3-6-13(7-4-10)22(20,21)19-18-11(2)14-9-12(17)5-8-15(14)16/h3-9,19H,1-2H3/b18-11+.
What are the key properties of N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 432.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 88570108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).