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

C14H12ClFN2O2S — CID 171035196

IUPACN-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H12ClFN2O2S/c1-10-2-6-13(7-3-10)21(19,20)18-17-9-11-4-5-12(15)8-14(11)16/h2-9,18H,1H3
InChIKeyXDQUWOPEKXPRNW-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.10
Rot. Bonds4

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

N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 171035196) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID171035196
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC NameN-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H12ClFN2O2S/c1-10-2-6-13(7-3-10)21(19,20)18-17-9-11-4-5-12(15)8-14(11)16/h2-9,18H,1H3
InChIKeyXDQUWOPEKXPRNW-UHFFFAOYSA-N
XLogP3.10
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.10
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-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171034814
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(E)-[4-(2-chloro-4-iodoanilino)-2,3-difluorophenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 164900770
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 1283271
N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4017599
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 171035196) is N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is XDQUWOPEKXPRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c1-10-2-6-13(7-3-10)21(19,20)18-17-9-11-4-5-12(15)8-14(11)16/h2-9,18H,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 326.78 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 171035196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).