N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide

C21H18FNO2S — CID 175305884

IUPACN-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
SMILESC=C(c1cccc(F)c1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H18FNO2S/c1-15-10-12-19(13-11-15)26(24,25)23-21-9-4-3-8-20(21)16(2)17-6-5-7-18(22)14-17/h3-14,23H,2H2,1H3
InChIKeyGHQCJBPBBLJUSU-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.00
Rot. Bonds5

About N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide

N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 175305884) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID175305884
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC NameN-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
SMILESC=C(c1cccc(F)c1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H18FNO2S/c1-15-10-12-19(13-11-15)26(24,25)23-21-9-4-3-8-20(21)16(2)17-6-5-7-18(22)14-17/h3-14,23H,2H2,1H3
InChIKeyGHQCJBPBBLJUSU-UHFFFAOYSA-N
XLogP5.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
CID 175305873
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-[2-[1-(2-methylphenyl)ethenyl]phenyl]benzenesulfonamide
CID 170558125
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
CID 91408660
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] 3-fluorobenzoate
CID 19132510

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide (CID 175305884) is N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide is C=C(c1cccc(F)c1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is GHQCJBPBBLJUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-15-10-12-19(13-11-15)26(24,25)23-21-9-4-3-8-20(21)16(2)17-6-5-7-18(22)14-17/h3-14,23H,2H2,1H3.
What are the key properties of N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 367.45 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175305884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).