4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide

C20H19FN2O2S — CID 112982120

IUPAC4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H19FN2O2S/c1-15-3-2-4-16(13-15)14-22-18-7-9-19(10-8-18)23-26(24,25)20-11-5-17(21)6-12-20/h2-13,22-23H,14H2,1H3
InChIKeyZZVATRBYVKLVCJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.55
Rot. Bonds6

About 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide

4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide (PubChem CID 112982120) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
PubChem CID112982120
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H19FN2O2S/c1-15-3-2-4-16(13-15)14-22-18-7-9-19(10-8-18)23-26(24,25)20-11-5-17(21)6-12-20/h2-13,22-23H,14H2,1H3
InChIKeyZZVATRBYVKLVCJ-UHFFFAOYSA-N
XLogP4.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982764
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553452
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide (CID 112982120) is 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide is Cc1cccc(CNc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide?
The InChIKey is ZZVATRBYVKLVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-15-3-2-4-16(13-15)14-22-18-7-9-19(10-8-18)23-26(24,25)20-11-5-17(21)6-12-20/h2-13,22-23H,14H2,1H3.
What are the key properties of 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 112982120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).