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

C20H17FN2O2S — CID 9461390

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N/N=C\c3ccccc3F)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-15-6-10-18(11-7-15)26(24,25)19-12-8-17(9-13-19)23-22-14-16-4-2-3-5-20(16)21/h2-14,23H,1H3/b22-14-
InChIKeyRCNRNXGMQINDSZ-HMAPJEAMSA-N
MW368.43 g/mol
LogP4.41
Rot. Bonds5

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

N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline (PubChem CID 9461390) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
PubChem CID9461390
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N/N=C\c3ccccc3F)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-15-6-10-18(11-7-15)26(24,25)19-12-8-17(9-13-19)23-22-14-16-4-2-3-5-20(16)21/h2-14,23H,1H3/b22-14-
InChIKeyRCNRNXGMQINDSZ-HMAPJEAMSA-N
XLogP4.41
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline (CID 9461390) is N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline is Cc1ccc(S(=O)(=O)c2ccc(N/N=C\c3ccccc3F)cc2)cc1.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
The InChIKey is RCNRNXGMQINDSZ-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-15-6-10-18(11-7-15)26(24,25)19-12-8-17(9-13-19)23-22-14-16-4-2-3-5-20(16)21/h2-14,23H,1H3/b22-14-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline?
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline has a molecular weight of 368.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline is sourced from PubChem (CID 9461390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).