N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline

C20H16F2N2O2S — CID 9461340

IUPACN-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N/N=C\c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C20H16F2N2O2S/c1-14-2-8-18(9-3-14)27(25,26)19-10-6-17(7-11-19)24-23-13-15-4-5-16(21)12-20(15)22/h2-13,24H,1H3/b23-13-
InChIKeyMIYOGRUGBIBALV-QRVIBDJDSA-N
MW386.42 g/mol
LogP4.55
Rot. Bonds5

About N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline

N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline (PubChem CID 9461340) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline.

Molecular Properties

Compound NameN-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
PubChem CID9461340
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC NameN-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N/N=C\c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C20H16F2N2O2S/c1-14-2-8-18(9-3-14)27(25,26)19-10-6-17(7-11-19)24-23-13-15-4-5-16(21)12-20(15)22/h2-13,24H,1H3/b23-13-
InChIKeyMIYOGRUGBIBALV-QRVIBDJDSA-N
XLogP4.55
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
CID 9461390
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
CID 11301243
N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171034814
methyl 2-[(Z)-[[4-(4-methylphenyl)sulfonylphenyl]hydrazinylidene]methyl]benzoate
CID 8979814
4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline
CID 69390660
4-(4-methylphenyl)sulfonyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 9461260
N-[[5-fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]-4-methylaniline
CID 146015166
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
CID 9059516
2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
CID 11324042
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
The IUPAC name of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline (CID 9461340) is N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline.
What is the SMILES notation for N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
The canonical SMILES for N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline is Cc1ccc(S(=O)(=O)c2ccc(N/N=C\c3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
The InChIKey is MIYOGRUGBIBALV-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-14-2-8-18(9-3-14)27(25,26)19-10-6-17(7-11-19)24-23-13-15-4-5-16(21)12-20(15)22/h2-13,24H,1H3/b23-13-.
What are the key properties of N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline has a molecular weight of 386.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline is sourced from PubChem (CID 9461340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).