N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide

C20H16F2N2O2S — CID 101441211

IUPACN-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16F2N2O2S/c1-14-2-12-19(13-3-14)27(25,26)24-23-20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h2-13,24H,1H3
InChIKeyDPPCURAUZALHET-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.00
Rot. Bonds5

About N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 101441211) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID101441211
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC NameN-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16F2N2O2S/c1-14-2-12-19(13-3-14)27(25,26)24-23-20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h2-13,24H,1H3
InChIKeyDPPCURAUZALHET-UHFFFAOYSA-N
XLogP4.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.00
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

1,3-Diphenylacetone p-tosylhydrazone
CID 88263
N'-(3-allylcyclohexylidene)-4-methylbenzenesulfonohydrazide
CID 6244004
4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide
CID 11899977
Cyclohexanone p-Toluenesulfonylhydrazone
CID 244768
N'-(1,3-dimethyl-3-phenylbutylidene)benzenesulfonohydrazide
CID 5913345
1-Propiophenone tosylhydrazone
CID 280394
N'-(3,4-Dihydronaphthalen-1(2H)-ylidene)-4-methylbenzene-1-sulfonohydrazide
CID 280414
N-(tetralin-1-ylideneamino)benzenesulfonamide
CID 6176442
4-tert-butyl-N'-[(1E)-1-phenylethylidene]benzenesulfonohydrazide
CID 9639996
N-(2-adamantylideneamino)-4-methylbenzenesulfonamide
CID 2802212
N'-(Diphenylmethylene)-4-methylbenzenesulfonohydrazide
CID 274531
Mls003115187
CID 315047

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 101441211) is N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is DPPCURAUZALHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-14-2-12-19(13-3-14)27(25,26)24-23-20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h2-13,24H,1H3.
What are the key properties of N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 386.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101441211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).