N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H12BrFN2O2S — CID 171034814

IUPACN-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrFN2O2S/c1-10-2-6-13(7-3-10)21(19,20)18-17-9-11-4-5-12(16)8-14(11)15/h2-9,18H,1H3
InChIKeyCPWQKCKIMSFDDF-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.21
Rot. Bonds4

About N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 171034814) has the molecular formula C14H12BrFN2O2S and a molecular weight of 371.23 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID171034814
Molecular FormulaC14H12BrFN2O2S
Molecular Weight371.23 g/mol
Exact Mass369.98
IUPAC NameN-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrFN2O2S/c1-10-2-6-13(7-3-10)21(19,20)18-17-9-11-4-5-12(16)8-14(11)15/h2-9,18H,1H3
InChIKeyCPWQKCKIMSFDDF-UHFFFAOYSA-N
XLogP3.21
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873841
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
N-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 165180286
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 171034814) is N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccc(F)cc2Br)cc1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is CPWQKCKIMSFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2S/c1-10-2-6-13(7-3-10)21(19,20)18-17-9-11-4-5-12(16)8-14(11)15/h2-9,18H,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 371.23 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 171034814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).