N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide

C19H17FN2O2S — CID 112988985

IUPACN-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C19H17FN2O2S/c1-14-5-11-19(12-6-14)25(23,24)22-17-9-7-16(8-10-17)21-18-4-2-3-15(20)13-18/h2-13,21-22H,1H3
InChIKeyNKHICHAINKRZPC-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide

N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide (PubChem CID 112988985) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
PubChem CID112988985
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C19H17FN2O2S/c1-14-5-11-19(12-6-14)25(23,24)22-17-9-7-16(8-10-17)21-18-4-2-3-15(20)13-18/h2-13,21-22H,1H3
InChIKeyNKHICHAINKRZPC-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
3-fluoro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 50747974
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46619844
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide (CID 112988985) is N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is NKHICHAINKRZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-14-5-11-19(12-6-14)25(23,24)22-17-9-7-16(8-10-17)21-18-4-2-3-15(20)13-18/h2-13,21-22H,1H3.
What are the key properties of N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide?
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 112988985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).