N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide

C25H20FNO4S2 — CID 25037271

IUPACN-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4cccc(F)c4)cc3)cc2)cc1
InChIInChI=1S/C25H20FNO4S2/c1-18-5-11-23(12-6-18)32(28,29)24-13-7-19(8-14-24)20-9-15-25(16-10-20)33(30,31)27-22-4-2-3-21(26)17-22/h2-17,27H,1H3
InChIKeyJWVFMFAYTWBHHP-UHFFFAOYSA-N
MW481.57 g/mol
LogP5.43
Rot. Bonds6

About N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide

N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide (PubChem CID 25037271) has the molecular formula C25H20FNO4S2 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
PubChem CID25037271
Molecular FormulaC25H20FNO4S2
Molecular Weight481.57 g/mol
Exact Mass481.08
IUPAC NameN-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4cccc(F)c4)cc3)cc2)cc1
InChIInChI=1S/C25H20FNO4S2/c1-18-5-11-23(12-6-18)32(28,29)24-13-7-19(8-14-24)20-9-15-25(16-10-20)33(30,31)27-22-4-2-3-21(26)17-22/h2-17,27H,1H3
InChIKeyJWVFMFAYTWBHHP-UHFFFAOYSA-N
XLogP5.43
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide (CID 25037271) is N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4cccc(F)c4)cc3)cc2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is JWVFMFAYTWBHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4S2/c1-18-5-11-23(12-6-18)32(28,29)24-13-7-19(8-14-24)20-9-15-25(16-10-20)33(30,31)27-22-4-2-3-21(26)17-22/h2-17,27H,1H3.
What are the key properties of N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide?
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 25037271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).