N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C20H17FN2O3S — CID 138455349

IUPACN-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(F)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C20H17FN2O3S/c1-15-7-10-18(11-8-15)27(24,25)23-22-14-16-9-12-19(21)20(13-16)26-17-5-3-2-4-6-17/h2-14,23H,1H3
InChIKeyKIGYMZZDLHGWLE-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.24
Rot. Bonds6

About N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 138455349) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID138455349
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(F)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C20H17FN2O3S/c1-15-7-10-18(11-8-15)27(24,25)23-22-14-16-9-12-19(21)20(13-16)26-17-5-3-2-4-6-17/h2-14,23H,1H3
InChIKeyKIGYMZZDLHGWLE-UHFFFAOYSA-N
XLogP4.24
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.24
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'}

Analyze N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
N-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 165180286
N-[(E)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6872847
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
4-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 7028589
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 138455349) is N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccc(F)c(Oc3ccccc3)c2)cc1.
What is the InChIKey of N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is KIGYMZZDLHGWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-15-7-10-18(11-8-15)27(24,25)23-22-14-16-9-12-19(21)20(13-16)26-17-5-3-2-4-6-17/h2-14,23H,1H3.
What are the key properties of N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 384.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 138455349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).